 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_M11_augccpVDZ.in
 Output=22_phenylethanamine_conformer02_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-28877.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28892.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:04:45 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.74D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:04:46 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:04:46 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:04:47 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.018283707110    
 DIIS: error= 2.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.018283707110     IErMin= 1 ErrMin= 2.77D-03
 ErrMax= 2.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.83D-02 MaxDP=4.42D+00              OVMax= 1.86D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.82D-02    CP:  2.05D+00
 E= -366.028511604909     Delta-E=       -0.010227897798 Rises=F Damp=F
 DIIS: error= 5.23D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.028511604909     IErMin= 2 ErrMin= 5.23D-04
 ErrMax= 5.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-04 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.23D-03
 Coeff-Com: -0.665D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.661D-01 0.107D+01
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.65D-02 MaxDP=9.75D-01 DE=-1.02D-02 OVMax= 6.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.86D-03    CP:  2.27D+00  1.21D+00
 E= -366.028833064062     Delta-E=       -0.000321459153 Rises=F Damp=F
 DIIS: error= 1.89D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.028833064062     IErMin= 3 ErrMin= 1.89D-04
 ErrMax= 1.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-05 BMatP= 1.93D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.89D-03
 Coeff-Com: -0.287D-01 0.274D+00 0.755D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.287D-01 0.274D+00 0.755D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.37D-03 MaxDP=7.84D-02 DE=-3.21D-04 OVMax= 1.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.86D-04    CP:  2.28D+00  1.23D+00  1.12D+00
 E= -366.028871891390     Delta-E=       -0.000038827328 Rises=F Damp=F
 DIIS: error= 6.81D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.028871891390     IErMin= 4 ErrMin= 6.81D-05
 ErrMax= 6.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-06 BMatP= 3.67D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-02-0.760D-01 0.201D+00 0.873D+00
 Coeff:      0.138D-02-0.760D-01 0.201D+00 0.873D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=3.80D-04 MaxDP=1.97D-02 DE=-3.88D-05 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.35D-04    CP:  2.29D+00  1.23D+00  1.19D+00  1.37D+00
 E= -366.028879265437     Delta-E=       -0.000007374047 Rises=F Damp=F
 DIIS: error= 1.85D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.028879265437     IErMin= 5 ErrMin= 1.85D-05
 ErrMax= 1.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-07 BMatP= 5.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-02-0.431D-01-0.284D-02 0.251D+00 0.792D+00
 Coeff:      0.268D-02-0.431D-01-0.284D-02 0.251D+00 0.792D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=6.15D-05 MaxDP=4.61D-03 DE=-7.37D-06 OVMax= 4.21D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.29D-05    CP:  2.29D+00  1.23D+00  1.20D+00  1.47D+00  1.21D+00
 E= -366.028879957831     Delta-E=       -0.000000692394 Rises=F Damp=F
 DIIS: error= 6.47D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.028879957831     IErMin= 6 ErrMin= 6.47D-06
 ErrMax= 6.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-08 BMatP= 4.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.434D-03 0.276D-04-0.261D-01-0.515D-01 0.203D+00 0.875D+00
 Coeff:      0.434D-03 0.276D-04-0.261D-01-0.515D-01 0.203D+00 0.875D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.58D-05 MaxDP=1.62D-03 DE=-6.92D-07 OVMax= 1.73D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.07D-05    CP:  2.29D+00  1.23D+00  1.20D+00  1.50D+00  1.23D+00
                    CP:  1.32D+00
 E= -366.028880065414     Delta-E=       -0.000000107582 Rises=F Damp=F
 DIIS: error= 1.87D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.028880065414     IErMin= 7 ErrMin= 1.87D-06
 ErrMax= 1.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-09 BMatP= 5.77D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-03 0.452D-02-0.366D-02-0.372D-01-0.591D-01 0.105D+00
 Coeff-Com:  0.990D+00
 Coeff:     -0.204D-03 0.452D-02-0.366D-02-0.372D-01-0.591D-01 0.105D+00
 Coeff:      0.990D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=7.17D-04 DE=-1.08D-07 OVMax= 7.94D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.88D-06    CP:  2.29D+00  1.23D+00  1.20D+00  1.50D+00  1.24D+00
                    CP:  1.42D+00  1.33D+00
 E= -366.028880076661     Delta-E=       -0.000000011248 Rises=F Damp=F
 DIIS: error= 6.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.028880076661     IErMin= 8 ErrMin= 6.95D-07
 ErrMax= 6.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-10 BMatP= 4.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.948D-04 0.144D-02 0.587D-03-0.837D-02-0.322D-01-0.299D-01
 Coeff-Com:  0.330D+00 0.739D+00
 Coeff:     -0.948D-04 0.144D-02 0.587D-03-0.837D-02-0.322D-01-0.299D-01
 Coeff:      0.330D+00 0.739D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=1.53D-04 DE=-1.12D-08 OVMax= 1.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.95D-07    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.44D+00  1.43D+00  1.13D+00
 E= -366.028880077720     Delta-E=       -0.000000001059 Rises=F Damp=F
 DIIS: error= 4.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.028880077720     IErMin= 9 ErrMin= 4.56D-07
 ErrMax= 4.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.04D-11 BMatP= 6.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-04-0.438D-03 0.913D-03 0.485D-02 0.167D-02-0.315D-01
 Coeff-Com: -0.856D-01 0.218D+00 0.892D+00
 Coeff:      0.124D-04-0.438D-03 0.913D-03 0.485D-02 0.167D-02-0.315D-01
 Coeff:     -0.856D-01 0.218D+00 0.892D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.32D-06 MaxDP=1.43D-04 DE=-1.06D-09 OVMax= 8.55D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.03D-07    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.45D+00  1.47D+00  1.23D+00  1.15D+00
 E= -366.028880077911     Delta-E=       -0.000000000190 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.028880077911     IErMin=10 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-12 BMatP= 9.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.989D-05-0.224D-03 0.229D-03 0.199D-02 0.264D-02-0.698D-02
 Coeff-Com: -0.473D-01 0.765D-02 0.263D+00 0.779D+00
 Coeff:      0.989D-05-0.224D-03 0.229D-03 0.199D-02 0.264D-02-0.698D-02
 Coeff:     -0.473D-01 0.765D-02 0.263D+00 0.779D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.79D-07 MaxDP=2.25D-05 DE=-1.90D-10 OVMax= 1.94D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.56D-07    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.45D+00  1.48D+00  1.24D+00  1.21D+00  1.20D+00
 E= -366.028880077875     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 3.79D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -366.028880077911     IErMin=11 ErrMin= 3.79D-08
 ErrMax= 3.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-12 BMatP= 7.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-05 0.498D-05-0.855D-04-0.230D-03 0.383D-03 0.334D-02
 Coeff-Com:  0.712D-03-0.359D-01-0.732D-01 0.192D+00 0.913D+00
 Coeff:      0.103D-05 0.498D-05-0.855D-04-0.230D-03 0.383D-03 0.334D-02
 Coeff:      0.712D-03-0.359D-01-0.732D-01 0.192D+00 0.913D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.44D-07 MaxDP=7.35D-06 DE= 3.58D-11 OVMax= 1.01D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.47D-08    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.45D+00  1.48D+00  1.24D+00  1.24D+00  1.32D+00
                    CP:  1.42D+00
 E= -366.028880077905     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 1.46D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -366.028880077911     IErMin=12 ErrMin= 1.46D-08
 ErrMax= 1.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-14 BMatP= 1.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.974D-06 0.257D-04-0.391D-04-0.249D-03-0.253D-03 0.136D-02
 Coeff-Com:  0.535D-02-0.609D-02-0.388D-01-0.611D-01 0.140D+00 0.960D+00
 Coeff:     -0.974D-06 0.257D-04-0.391D-04-0.249D-03-0.253D-03 0.136D-02
 Coeff:      0.535D-02-0.609D-02-0.388D-01-0.611D-01 0.140D+00 0.960D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=7.30D-08 MaxDP=4.08D-06 DE=-3.00D-11 OVMax= 4.05D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.45D+00  1.48D+00  1.23D+00  1.24D+00  1.34D+00
                    CP:  1.60D+00  1.20D+00
 E= -366.028880077898     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 8.69D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -366.028880077911     IErMin=13 ErrMin= 8.69D-09
 ErrMax= 8.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-14 BMatP= 9.81D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-06 0.570D-05-0.509D-06-0.333D-04-0.108D-03-0.562D-04
 Coeff-Com:  0.124D-02 0.260D-02-0.891D-03-0.385D-01-0.719D-01 0.269D+00
 Coeff-Com:  0.839D+00
 Coeff:     -0.339D-06 0.570D-05-0.509D-06-0.333D-04-0.108D-03-0.562D-04
 Coeff:      0.124D-02 0.260D-02-0.891D-03-0.385D-01-0.719D-01 0.269D+00
 Coeff:      0.839D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.82D-08 MaxDP=9.68D-07 DE= 6.71D-12 OVMax= 1.89D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.21D-09    CP:  2.29D+00  1.23D+00  1.20D+00  1.49D+00  1.24D+00
                    CP:  1.45D+00  1.48D+00  1.23D+00  1.25D+00  1.34D+00
                    CP:  1.66D+00  1.31D+00  1.37D+00
 E= -366.028880077930     Delta-E=       -0.000000000032 Rises=F Damp=F
 DIIS: error= 3.41D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -366.028880077930     IErMin=14 ErrMin= 3.41D-09
 ErrMax= 3.41D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-15 BMatP= 2.07D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-06-0.460D-05 0.908D-05 0.523D-04 0.303D-04-0.364D-03
 Coeff-Com: -0.942D-03 0.249D-02 0.973D-02 0.134D-02-0.617D-01-0.137D+00
 Coeff-Com:  0.260D+00 0.926D+00
 Coeff:      0.132D-06-0.460D-05 0.908D-05 0.523D-04 0.303D-04-0.364D-03
 Coeff:     -0.942D-03 0.249D-02 0.973D-02 0.134D-02-0.617D-01-0.137D+00
 Coeff:      0.260D+00 0.926D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=6.87D-09 MaxDP=4.74D-07 DE=-3.17D-11 OVMax= 1.04D-07

 SCF Done:  E(RM11) =  -366.028880078     A.U. after   14 cycles
            NFock= 14  Conv=0.69D-08     -V/T= 2.0065
 KE= 3.636645490888D+02 PE=-1.700425307842D+03 EE= 5.449868317706D+02
 Leave Link  502 at Thu Aug 12 21:08:11 2021, MaxMem=  5368709120 cpu:            1627.6 elap:             204.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.12211997D+03

 Leave Link  801 at Thu Aug 12 21:08:11 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 1.89D-01 6.89D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 2.93D-02 5.61D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 2.76D-03 1.37D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 2.04D-04 4.09D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 1.93D-05 7.39D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 8.13D-07 1.29D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 1.86D-08 2.40D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 3.98D-10 3.61D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 7.93D-12 5.60D-07.
      7 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 2.01D-13 8.98D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 9.38D-15 1.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.135375D+03
      2  0.229054D+00  0.109356D+03
      3  0.118894D+01  0.584612D+01  0.797698D+02
 Isotropic polarizability for W=    0.085645      108.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.676797D+02  0.530402D+01  0.312733D+01
      2  -0.194955D+02 -0.650867D+01 -0.789177D+01
      3  -0.481842D+02  0.120465D+01  0.476444D+01
      4  -0.601935D+01  0.621262D+02  0.340677D+02
      5   0.199878D+02  0.352002D+02 -0.314414D+02
      6   0.140506D+02  0.495336D+01 -0.420186D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.162459D+01  0.194647D+01  0.562082D+00
      2   0.376060D+01  0.138655D+02 -0.114012D+02
      3  -0.381724D+01 -0.317167D+02 -0.128380D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.113246D+01  0.128451D+02  0.540651D+01
      2  -0.168605D+02  0.200171D+02  0.167429D+02
      3  -0.113234D+02 -0.816217D+02 -0.211495D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.796888D+00 -0.192869D+01  0.741823D-01
      2  -0.192869D+01 -0.222702D+01  0.266962D+01
      3   0.741823D-01  0.266962D+01  0.833092D+00
 OR G Eigenvalues:    -4.3527     0.8792     2.8764  Iso=     0.1990
 Eigenvectors:
   (1)   0.320972   0.840184  -0.437112
   (2)   0.817513  -0.012763   0.575769
   (3)  -0.478173   0.542151   0.690958
 w=    0.085645 a.u., Optical Rotation Beta=      0.1990 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       77.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 3.04D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.35D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.89D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 2.85D-02 2.78D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 2.69D-03 6.48D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 3.37D-05 9.29D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 5.40D-07 1.19D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 7.95D-09 1.11D-05.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 9.63D-11 1.78D-06.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 9.21D-13 1.57D-07.
     17 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 8.89D-15 9.74D-09.
      2 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 6.62D-16 3.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135375D+03  0.229054D+00  0.118894D+01
      2   0.229054D+00  0.109356D+03  0.584612D+01
      3   0.118894D+01  0.584612D+01  0.797698D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.162459D+01  0.194647D+01  0.562082D+00
      2   0.376060D+01  0.138655D+02 -0.114012D+02
      3  -0.381724D+01 -0.317167D+02 -0.128380D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676797D+02  0.530402D+01  0.312733D+01
      2  -0.194955D+02 -0.650867D+01 -0.789177D+01
      3  -0.481842D+02  0.120465D+01  0.476444D+01
      4  -0.601935D+01  0.621262D+02  0.340677D+02
      5   0.199878D+02  0.352002D+02 -0.314414D+02
      6   0.140506D+02  0.495336D+01 -0.420186D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.381035D+01 -0.574092D+00 -0.143942D+00  0.499940D+01  0.192677D+00
      2  -0.574092D+00  0.233040D+01 -0.323633D+00  0.192677D+00  0.113289D+01
      3  -0.143942D+00 -0.323633D+00  0.893875D+00 -0.504578D+00 -0.128031D+01
                 6             7             8             9            10 
      1  -0.504578D+00  0.773018D+00 -0.922384D+00  0.190085D+01  0.359921D+01
      2  -0.128031D+01 -0.922384D+00 -0.157133D+01  0.338885D+01 -0.656568D+00
      3   0.217963D+01  0.190085D+01  0.338885D+01  0.285050D+01  0.128522D+00
                11            12            13            14            15 
      1  -0.656568D+00  0.128522D+00  0.786331D+01  0.382904D-01  0.239517D+00
      2  -0.338812D+01 -0.537294D+00  0.382904D-01  0.176876D+01 -0.813273D+00
      3  -0.537294D+00 -0.209952D+01  0.239517D+00 -0.813273D+00  0.168740D+01
                16            17            18            19            20 
      1   0.254313D+01  0.207376D-01 -0.179499D+01 -0.166695D+02 -0.213821D+01
      2   0.207376D-01 -0.153779D+01  0.285557D+01 -0.213821D+01 -0.238271D+01
      3  -0.179499D+01  0.285557D+01  0.136905D+01  0.396085D+00  0.210683D+00
                21            22            23            24            25 
      1   0.396085D+00 -0.286748D+01  0.112827D+01  0.141870D+01 -0.739853D+00
      2   0.210683D+00  0.112827D+01 -0.426889D+00 -0.345827D+00  0.129106D+01
      3  -0.241843D+01  0.141870D+01 -0.345827D+00 -0.378796D-02 -0.377279D+01
                26            27            28            29            30 
      1   0.129106D+01 -0.377279D+01  0.483473D+01  0.246760D+01  0.734783D+00
      2  -0.659296D+00 -0.592668D+00  0.246760D+01 -0.239638D+01 -0.135224D+00
      3  -0.592668D+00 -0.765658D+00  0.734783D+00 -0.135224D+00 -0.134636D+01
                31            32            33            34            35 
      1  -0.668477D+01 -0.500288D+00  0.305829D+00 -0.856959D+00  0.105255D+01
      2  -0.500288D+00 -0.183950D+01  0.120610D+01  0.105255D+01  0.129446D+01
      3   0.305829D+00  0.120610D+01 -0.179987D+01 -0.833484D+00 -0.307680D+01
                36            37            38            39            40 
      1  -0.833484D+00 -0.227943D+01 -0.677702D+00 -0.391073D+00 -0.548123D+01
      2  -0.307680D+01 -0.677702D+00  0.264939D+01  0.790118D+00 -0.807887D+00
      3  -0.306316D+01 -0.391073D+00  0.790118D+00  0.212290D+01 -0.987282D+00
                41            42            43            44            45 
      1  -0.807887D+00 -0.987282D+00 -0.154126D+01 -0.824566D+00  0.289626D+01
      2  -0.990424D+00  0.149022D+01 -0.824566D+00  0.192514D+01 -0.287923D+01
      3   0.149022D+01 -0.199649D+01  0.289626D+01 -0.287923D+01 -0.170266D+01
                46            47            48            49            50 
      1   0.538948D+01  0.369562D+00 -0.520555D+00  0.972823D+00 -0.324609D+00
      2   0.369562D+00  0.333338D+01 -0.248613D-01 -0.324609D+00  0.210190D+00
      3  -0.520555D+00 -0.248613D-01  0.332451D+01 -0.141587D+01 -0.684866D+00
                51            52            53            54            55 
      1  -0.141587D+01 -0.103478D+00 -0.137429D+01  0.517741D+01  0.321622D+01
      2  -0.684866D+00 -0.137429D+01  0.773611D-01  0.382290D+00  0.414617D+00
      3   0.496708D-01  0.517741D+01  0.382290D+00  0.104534D+01 -0.131265D+01
                56            57            58            59            60 
      1   0.414617D+00 -0.131265D+01  0.296862D+00  0.238842D+01 -0.226355D+01
      2   0.111425D+01 -0.119037D+01  0.238842D+01  0.536433D+01  0.397128D+01
      3  -0.119037D+01  0.267624D+01 -0.226355D+01  0.397128D+01  0.119293D+01
                61            62            63            64            65 
      1  -0.560351D+01 -0.198179D+01  0.496839D+01  0.688319D+01  0.150975D+01
      2  -0.198179D+01  0.347771D+01  0.283099D+01  0.150975D+01 -0.938159D+00
      3   0.496839D+01  0.283099D+01 -0.233959D+01  0.124677D+01  0.612713D+00
                66            67            68            69            70 
      1   0.124677D+01  0.352325D+01 -0.200999D+01  0.139943D+01  0.147840D+01
      2   0.612713D+00 -0.200999D+01  0.100856D+01 -0.205951D+01  0.460623D+00
      3  -0.192724D+01  0.139943D+01 -0.205951D+01 -0.558339D+00 -0.190686D+01
                71            72            73            74            75 
      1   0.460623D+00 -0.190686D+01  0.957276D+01  0.212177D+01  0.915459D-01
      2  -0.501944D+00 -0.115752D+01  0.212177D+01 -0.217414D+01  0.117371D+01
      3  -0.115752D+01  0.499438D+01  0.915459D-01  0.117371D+01 -0.308054D+01
                76            77            78            79            80 
      1   0.168838D+01 -0.192290D+01  0.152663D+01  0.571867D+01  0.189252D+01
      2  -0.192290D+01  0.275047D+00 -0.435988D+01  0.189252D+01 -0.286563D+01
      3   0.152663D+01 -0.435988D+01 -0.122048D+01 -0.442293D+01 -0.180786D+01
                81            82            83            84            85 
      1  -0.442293D+01 -0.124156D+02  0.794899D+00 -0.238678D+01 -0.284114D+00
      2  -0.180786D+01  0.794899D+00 -0.814197D+00  0.432367D+00 -0.472395D+00
      3   0.188645D+01 -0.238678D+01  0.432367D+00 -0.164462D+01  0.144281D+00
                86            87            88            89            90 
      1  -0.472395D+00  0.144281D+00 -0.482837D+00  0.238070D+00 -0.905778D+00
      2   0.557173D+00  0.142188D+00  0.238070D+00  0.452451D+00  0.215613D+00
      3   0.142188D+00  0.379802D-01 -0.905778D+00  0.215613D+00 -0.535207D+00
                91            92            93            94            95 
      1   0.657179D-01 -0.138064D+01 -0.584619D+00 -0.259988D+01 -0.151647D+01
      2  -0.138064D+01 -0.126435D+01 -0.305251D+00 -0.151647D+01 -0.683028D+01
      3  -0.584619D+00 -0.305251D+00 -0.873182D+00 -0.440993D+00 -0.224856D+01
                96            97            98            99           100 
      1  -0.440993D+00 -0.575375D+00 -0.310405D+00 -0.122430D+01 -0.617747D+00
      2  -0.224856D+01 -0.310405D+00 -0.297256D+01 -0.220152D+01  0.537283D+00
      3  -0.215474D+01 -0.122430D+01 -0.220152D+01 -0.193872D+01  0.473275D+00
               101           102           103           104           105 
      1   0.537283D+00  0.473275D+00  0.164779D+01  0.245198D-01 -0.729842D+00
      2   0.420387D+00  0.527599D-02  0.245198D-01  0.323339D+01  0.229207D+01
      3   0.527599D-02  0.770992D+00 -0.729842D+00  0.229207D+01  0.324719D+01
               106           107           108           109           110 
      1   0.735631D+00 -0.249671D+00 -0.510666D-01  0.289051D+00 -0.110724D+01
      2  -0.249671D+00  0.193095D+01  0.170961D+01 -0.110724D+01  0.143772D+01
      3  -0.510666D-01  0.170961D+01  0.360051D+01  0.544811D+00 -0.941362D+00
               111           112           113           114           115 
      1   0.544811D+00 -0.167423D+01  0.560735D+00 -0.203755D+00  0.253957D+00
      2  -0.941362D+00  0.560735D+00 -0.461689D+01  0.284263D+01 -0.370051D+00
      3   0.158436D+01 -0.203755D+00  0.284263D+01 -0.254944D+01  0.550843D+00
               116           117           118           119           120 
      1  -0.370051D+00  0.550843D+00 -0.140788D+02 -0.218765D+01  0.179649D+01
      2   0.202162D+01 -0.178463D+01 -0.218765D+01 -0.122555D+01  0.349820D+00
      3  -0.178463D+01  0.263118D+01  0.179649D+01  0.349820D+00 -0.152785D+01
               121           122           123           124           125 
      1  -0.199798D+01 -0.157979D+01  0.161613D+00 -0.960723D+00 -0.229806D+00
      2  -0.157979D+01 -0.862800D+00  0.641756D+00 -0.229806D+00  0.845827D-01
      3   0.161613D+00  0.641756D+00 -0.223186D+00 -0.909479D+00 -0.731238D-01
               126           127           128           129           130 
      1  -0.909479D+00 -0.167126D+01 -0.174542D+01 -0.549810D+00 -0.149877D+01
      2  -0.731238D-01 -0.174542D+01 -0.205736D+01 -0.616241D+00 -0.203338D+01
      3  -0.569897D-01 -0.549810D+00 -0.616241D+00 -0.408678D+00 -0.546769D+00
               131           132           133           134           135 
      1  -0.203338D+01 -0.546769D+00 -0.673511D+00 -0.763343D+00 -0.148824D+00
      2  -0.798498D+01 -0.208831D+01 -0.763343D+00 -0.228532D+01 -0.713573D+00
      3  -0.208831D+01 -0.133868D+01 -0.148824D+00 -0.713573D+00 -0.430300D+00
               136           137           138           139           140 
      1   0.490205D+01 -0.384186D+01 -0.735751D+00 -0.368496D+01  0.441009D+01
      2  -0.384186D+01  0.351621D+01  0.554265D+00  0.441009D+01 -0.646118D+01
      3  -0.735751D+00  0.554265D+00  0.621483D+00  0.962525D+00 -0.123500D+01
               141           142           143           144           145 
      1   0.962525D+00 -0.730163D+00  0.863679D+00  0.242165D+00  0.134934D+02
      2  -0.123500D+01  0.863679D+00 -0.151235D+01 -0.353963D+00  0.122890D+01
      3  -0.944572D+00  0.242165D+00 -0.353963D+00 -0.226272D+00  0.103298D+01
               146           147           148           149           150 
      1   0.122890D+01  0.103298D+01  0.109913D+01  0.161766D+01  0.507056D+00
      2   0.858769D+00  0.741585D-01  0.161766D+01  0.444085D+00  0.153288D+00
      3   0.741585D-01  0.920454D+00  0.507056D+00  0.153288D+00  0.145043D+00
               151           152           153           154           155 
      1   0.101516D+01  0.481468D+00  0.465334D-01  0.231690D+01  0.263765D+01
      2   0.481468D+00  0.113291D+00  0.229245D-01  0.263765D+01  0.281904D+01
      3   0.465334D-01  0.229245D-01  0.105966D+00  0.753605D+00  0.744346D+00
               156           157           158           159           160 
      1   0.753605D+00  0.228902D+01  0.377407D+01  0.992251D+00  0.792685D+00
      2   0.744346D+00  0.377407D+01  0.917055D+01  0.220921D+01  0.116260D+01
      3   0.537977D+00  0.992251D+00  0.220921D+01  0.136479D+01  0.345202D+00
               161           162           163           164           165 
      1   0.116260D+01  0.345202D+00 -0.355834D+01  0.219233D+01  0.192588D+00
      2   0.247013D+01  0.661985D+00  0.219233D+01 -0.242915D+01 -0.256177D+00
      3   0.661985D+00  0.395604D+00  0.192588D+00 -0.256177D+00 -0.436359D+00
               166           167           168           169           170 
      1   0.242475D+01 -0.271938D+01 -0.504652D+00  0.258375D+00 -0.499554D+00
      2  -0.271938D+01  0.555086D+01  0.887387D+00 -0.499554D+00  0.117010D+01
      3  -0.504652D+00  0.887387D+00  0.862881D+00 -0.967043D-01  0.316933D+00
               171           172           173           174           175 
      1  -0.967043D-01  0.538412D+00  0.350173D-01 -0.766259D+00 -0.312883D-01
      2   0.316933D+00  0.350173D-01  0.590561D+00 -0.617049D+00 -0.247636D+00
      3   0.251628D+00 -0.766259D+00 -0.617049D+00  0.230998D+01 -0.605479D-01
               176           177           178           179           180 
      1  -0.247636D+00 -0.605479D-01 -0.130137D+01  0.625576D-01 -0.604448D-01
      2   0.129710D+01 -0.720607D+00  0.625576D-01 -0.111158D+01  0.225612D+01
      3  -0.720607D+00  0.202206D+01 -0.604448D-01  0.225612D+01 -0.807206D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.476674D-02  0.105592D+01 -0.239501D+01  0.163175D+01  0.251976D+00
      2  -0.732756D+00  0.286885D+01  0.460652D+00  0.115376D+01 -0.368948D+01
      3   0.221203D+01 -0.123121D+02 -0.253430D+01  0.405665D+01 -0.117056D+01
                 6             7             8             9            10 
      1  -0.371988D+01 -0.476427D+01  0.989492D+00 -0.139114D+01 -0.300112D+00
      2   0.564998D+01 -0.808692D+01  0.810081D+01  0.487687D+01  0.154757D+01
      3   0.216170D+01 -0.301083D+00  0.305721D+01 -0.403370D+01  0.112506D+01
                11            12            13            14            15 
      1  -0.403835D+00  0.321092D+01 -0.831105D+00  0.669003D-01 -0.255071D+01
      2   0.518964D+00 -0.175215D+01  0.408121D+01  0.705145D+00  0.760268D+00
      3   0.547213D+00  0.974614D+00  0.355665D+01 -0.630268D+01  0.101260D+01
                16            17            18            19            20 
      1   0.641439D+01  0.320188D+01  0.252131D+00 -0.103532D+01 -0.214856D+00
      2  -0.118012D+02 -0.251508D-01  0.448534D+00 -0.372768D+01 -0.112093D+01
      3  -0.124894D+01  0.199796D+00 -0.574048D+01  0.550056D+00  0.686551D+01
                21            22            23            24            25 
      1   0.862853D-02 -0.122214D+01 -0.383495D+01  0.123630D+01 -0.359465D+00
      2  -0.169687D+01 -0.994203D+00  0.929447D+00  0.395922D+00 -0.147681D+02
      3   0.981443D+00  0.156936D+02  0.164930D+01 -0.195032D+01 -0.363967D+00
                26            27            28            29            30 
      1   0.945697D+01  0.279203D+01  0.145756D+00  0.169345D+01 -0.237720D+01
      2   0.415195D+00 -0.213846D+00  0.394116D+01  0.193361D+01 -0.141672D+01
      3  -0.815618D+00  0.245327D+00 -0.553101D+01 -0.327443D+01 -0.259991D+01
                31            32            33            34            35 
      1   0.103664D+01  0.913469D+00 -0.315549D+01 -0.490614D+01  0.129028D+01
      2   0.150989D+01 -0.546383D+00 -0.146671D+01 -0.133243D+02 -0.117274D+01
      3   0.412874D+01  0.573964D+01 -0.789575D-01 -0.263360D+01 -0.109557D+01
                36            37            38            39            40 
      1  -0.971433D+00 -0.391152D+00 -0.118600D+01  0.345831D+01 -0.154182D+01
      2  -0.285252D+01 -0.104100D+01  0.177617D+01  0.288228D+01 -0.110132D+01
      3   0.494101D+01  0.319240D+01 -0.995678D+01 -0.196386D+01  0.738122D+01
                41            42            43            44            45 
      1  -0.125395D+00 -0.235177D+01  0.657047D+01  0.348630D+01  0.120211D+01
      2   0.378934D+01 -0.648091D+01 -0.375072D+01 -0.907030D+01 -0.478796D+01
      3   0.239633D+01 -0.264595D+01  0.381858D+00 -0.351922D+01  0.350496D+01
                46            47            48            49            50 
      1   0.349814D+00 -0.364808D+00 -0.122561D+01 -0.863686D+00 -0.304562D+01
      2   0.103689D+00 -0.626725D+00  0.937177D+01 -0.502477D+01  0.214745D-01
      3  -0.207932D+01 -0.769035D+01  0.447842D+00  0.102642D+02 -0.190623D+01
                51            52            53            54            55 
      1   0.262373D+01 -0.207051D+01  0.106098D+02  0.314034D+01 -0.818347D+00
      2   0.107219D+01  0.739504D+01  0.203000D+01  0.271292D+01  0.337938D+01
      3   0.134894D+01  0.431259D+01  0.697332D+00 -0.239570D+00 -0.739727D+00
                56            57            58            59            60 
      1  -0.997766D+00 -0.817892D+00  0.246679D+01  0.353393D+01  0.372129D+00
      2   0.123522D+01 -0.308835D+01  0.261841D+01 -0.823778D+01 -0.251464D+01
      3   0.609873D+00  0.460510D+00  0.940239D+01  0.689221D+01  0.884800D+01
                61            62            63            64            65 
      1   0.288470D+01  0.375609D+01 -0.195239D+01 -0.260557D+01  0.263691D+01
      2  -0.159197D+02 -0.666642D+01  0.377720D+01  0.247905D+01 -0.117464D+01
      3  -0.831673D-01  0.123990D+02  0.385992D+01  0.165647D+02 -0.798515D+01
                66            67            68            69            70 
      1   0.287691D+01  0.423646D+00 -0.238476D+01 -0.153019D+01 -0.654171D+00
      2   0.101839D+02  0.321741D+00  0.297876D+01  0.196681D+01  0.117038D+01
      3   0.463752D+01  0.177836D+01  0.393410D+01 -0.494603D+01  0.236802D+01
                71            72            73            74            75 
      1   0.700874D+01 -0.722251D+01  0.383341D+01 -0.333090D+01 -0.371793D+00
      2   0.462828D+01 -0.138445D+02 -0.141387D+02 -0.600415D+01  0.116146D+02
      3  -0.219271D+01 -0.493852D+01  0.297113D+00 -0.104419D+02  0.204663D+01
                76            77            78            79            80 
      1  -0.434852D+00 -0.144155D+01 -0.117795D+02 -0.124784D+01 -0.602597D+01
      2  -0.582489D+01  0.142568D+02  0.181204D+01  0.772608D+01  0.321823D+01
      3  -0.291682D+01  0.268187D+01 -0.148068D+02  0.900276D+00 -0.129527D+02
                81            82            83            84            85 
      1  -0.865539D+00  0.213854D+01  0.882818D+00  0.118412D+01 -0.402730D+00
      2   0.372906D+00 -0.452767D+01 -0.262137D+00  0.482903D+01 -0.102788D+01
      3  -0.171220D+01 -0.114314D+02 -0.458965D+01 -0.167011D+01 -0.107501D+01
                86            87            88            89            90 
      1  -0.379977D+00 -0.744543D+00 -0.816690D-01  0.731219D-01  0.795381D-01
      2  -0.694686D+00  0.747286D+00  0.649836D+00  0.533439D-01  0.923643D+00
      3   0.974672D+00  0.103504D+01 -0.188872D+00  0.841357D+00 -0.188136D+00
                91            92            93            94            95 
      1  -0.613599D+00 -0.559577D-01 -0.756805D+00 -0.933351D+00  0.196283D+00
      2   0.120828D+01  0.241485D+00  0.243240D+01 -0.714177D+00  0.423146D+01
      3  -0.368078D+01 -0.251177D+01 -0.291583D+00  0.316887D+01 -0.129482D+02
                96            97            98            99           100 
      1  -0.441023D+01 -0.796997D+00  0.329899D+00 -0.207116D+01  0.155204D+01
      2   0.399988D+01  0.140872D+00  0.337504D+01  0.338972D+01 -0.149447D+01
      3  -0.429837D+01  0.112610D+01 -0.607516D+01 -0.349228D+01  0.232022D+01
               101           102           103           104           105 
      1   0.141982D+01  0.332377D+00  0.542794D+00  0.807263D+01  0.389992D+01
      2  -0.101703D+01 -0.201324D+01 -0.178000D+01 -0.676421D+01 -0.765247D+01
      3   0.113631D+01  0.189931D-01  0.207014D+01  0.927677D+01  0.673331D+01
               106           107           108           109           110 
      1  -0.246125D+00  0.610614D+01  0.456943D+01 -0.174510D+01  0.237930D+01
      2  -0.266288D+01 -0.436346D+01 -0.857866D+01 -0.332090D+01  0.352770D+01
      3  -0.272443D+00  0.554862D+01  0.485164D+01 -0.462774D+01  0.440887D+01
               111           112           113           114           115 
      1   0.525661D+00  0.135600D+01 -0.541735D+01  0.343656D+00  0.315386D+00
      2  -0.353463D+01  0.392308D+01 -0.837296D+01  0.632618D+01 -0.357657D+01
      3  -0.235890D+01  0.563399D+01 -0.118645D+02  0.739585D+01 -0.144069D+01
               116           117           118           119           120 
      1   0.356623D+01 -0.117346D+00 -0.134698D+01 -0.195745D+01 -0.137069D+01
      2   0.493920D+01 -0.663676D+01  0.111634D+02  0.141012D+01  0.632199D+01
      3   0.541275D+01 -0.517645D+01  0.357738D+01 -0.559089D+01  0.601957D-01
               121           122           123           124           125 
      1  -0.176017D+01 -0.509105D+00 -0.625788D-01 -0.959652D+00  0.113407D+01
      2   0.191780D+01 -0.382995D+00  0.926611D+00  0.143788D+01  0.571903D-01
      3  -0.177577D+01 -0.165910D+01  0.184387D+01 -0.133711D+00  0.139489D+01
               126           127           128           129           130 
      1  -0.264656D+00  0.110362D+00  0.294039D+00 -0.155818D+01  0.136519D+00
      2   0.947589D+00 -0.187024D+01 -0.123656D+01  0.841012D-03 -0.170128D+01
      3   0.734197D+00  0.670621D+01  0.365759D+01  0.134798D+01  0.686394D+01
               131           132           133           134           135 
      1   0.817117D+00 -0.395532D+01  0.602508D+00  0.243224D+01 -0.576388D+00
      2  -0.237109D+01  0.350133D-01 -0.214406D+01 -0.887229D+00  0.429901D-02
      3   0.853436D+01  0.258925D+01  0.232339D+01  0.250239D+01  0.592682D+00
               136           137           138           139           140 
      1   0.195652D+00 -0.679530D+00  0.221644D+01  0.300339D+00  0.237624D+00
      2   0.121546D-01  0.580627D-01  0.279852D+01  0.983667D+00 -0.176826D+01
      3   0.161607D+01 -0.493516D+01 -0.300842D+00 -0.337985D+01  0.108581D+02
               141           142           143           144           145 
      1  -0.332120D+01 -0.934343D+00  0.166832D+01 -0.352621D+00 -0.157575D+00
      2  -0.347152D+01 -0.856669D+00  0.294545D+00 -0.520346D+00  0.134199D+01
      3   0.163120D+01 -0.117142D+01  0.269201D+01  0.485251D+00 -0.536819D+00
               146           147           148           149           150 
      1   0.361966D+00 -0.571252D+00 -0.239086D-01 -0.115154D-01 -0.412199D+00
      2  -0.173789D-01  0.608983D+01  0.193046D+01  0.402562D+00  0.889075D+00
      3  -0.535452D+01  0.964866D-01 -0.360879D+01 -0.122884D+01 -0.385467D+00
               151           152           153           154           155 
      1   0.427108D+00  0.629335D+00  0.198447D-01 -0.222264D+00  0.122517D+00
      2  -0.294860D+01 -0.184357D+00  0.314797D+00  0.315560D+00  0.622774D+00
      3  -0.170094D+01 -0.777410D+00 -0.983220D-01 -0.744360D+00 -0.260057D+01
               156           157           158           159           160 
      1  -0.168540D+01 -0.244319D+00  0.480242D+00 -0.432482D+01  0.629311D+00
      2   0.167660D+01  0.625570D+00  0.317016D+01  0.345345D+01 -0.618671D+00
      3  -0.483318D+00 -0.134218D+01 -0.133914D+02 -0.289706D+01 -0.530591D+00
               161           162           163           164           165 
      1   0.217372D+01 -0.590269D+00  0.519227D+00 -0.102852D+01  0.211561D+01
      2   0.285202D+00  0.776591D+00  0.226929D+01 -0.968840D+00  0.490181D+00
      3  -0.359682D+01 -0.887803D+00 -0.988261D+01  0.383483D+01  0.263304D+00
               166           167           168           169           170 
      1  -0.981875D-01  0.710528D-01 -0.312507D+01 -0.150110D+00  0.186146D+01
      2  -0.939717D+00  0.126835D+01 -0.111111D+01 -0.186660D+01  0.514137D+00
      3   0.692641D+01 -0.495521D+01 -0.116589D+01  0.199921D+00 -0.112745D+01
               171           172           173           174           175 
      1  -0.188904D+00  0.386449D+00 -0.627124D+00 -0.279915D+01 -0.131389D+00
      2  -0.311044D+00  0.368506D+01  0.115479D+01 -0.576519D+01  0.426622D-01
      3  -0.175746D+00  0.972418D+00  0.151927D+01 -0.205283D+01  0.877659D+00
               176           177           178           179           180 
      1  -0.410340D+00 -0.291764D+01 -0.552538D+00  0.915692D+00  0.742906D+01
      2   0.107436D+01 -0.533734D+01 -0.389939D+01 -0.566214D+01  0.186041D+02
      3   0.261000D+01 -0.828435D+00 -0.154273D+01 -0.259262D+01  0.746823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.975158D+01 -0.216246D+02 -0.344518D+01  0.208186D+02  0.120767D+02
      2  -0.852613D+01  0.140874D+02  0.632790D+00 -0.187620D+02 -0.155713D+02
      3  -0.122545D+01  0.753719D+01  0.281239D+01 -0.205661D+01  0.349458D+01
      4  -0.157448D+02 -0.655559D+01 -0.374031D+01  0.108290D+02 -0.304828D+01
      5  -0.645852D+01 -0.187362D+01 -0.264832D+01 -0.204495D+00 -0.830181D+01
      6  -0.480478D+01 -0.125368D+01  0.446668D+01 -0.613963D+01 -0.127972D+02
                 6             7             8             9            10 
      1   0.384281D+01  0.509650D+01  0.857735D+00 -0.542043D+01 -0.586216D+00
      2  -0.805588D+01 -0.869600D+01 -0.965324D+01 -0.633012D+01 -0.695490D+00
      3   0.421306D+01  0.359950D+01  0.879550D+01  0.117505D+02  0.128171D+01
      4  -0.774663D+01 -0.369886D+01 -0.112116D+02  0.119203D+02  0.109884D+02
      5   0.113305D+02  0.124649D+02  0.124735D+02  0.102977D+02  0.406992D+01
      6   0.553605D+01  0.474680D+01  0.126846D+02  0.321578D+01  0.237888D+01
                11            12            13            14            15 
      1   0.175571D+02  0.495638D+01 -0.510394D+01  0.127533D+01  0.501547D+01
      2  -0.125564D+02  0.464518D+00  0.126528D+02 -0.398972D+01 -0.363971D+01
      3  -0.500070D+01 -0.542090D+01 -0.754888D+01  0.271439D+01 -0.137576D+01
      4  -0.106595D+02 -0.348791D+00  0.357900D+01  0.138887D+02  0.289204D+01
      5  -0.114011D+01 -0.270926D+01  0.377487D+01  0.267123D+01 -0.524764D-01
      6  -0.932062D+00 -0.670647D+01  0.860548D+01 -0.586528D+01  0.528125D+01
                16            17            18            19            20 
      1  -0.197994D+01  0.572931D+01 -0.134521D+02 -0.208287D+02 -0.247784D+01
      2   0.760469D+01 -0.762242D+01  0.110891D+01  0.639937D+01  0.207840D+01
      3  -0.562475D+01  0.189311D+01  0.123432D+02  0.144294D+02  0.399434D+00
      4   0.276889D+01  0.137353D+01  0.389527D+01  0.476218D+01  0.163708D+01
      5   0.327950D+01  0.240365D+01 -0.220868D+00 -0.865229D+01 -0.126269D+01
      6  -0.264100D+01  0.102874D+02 -0.735654D-02 -0.360401D+01  0.436579D+00
                21            22            23            24            25 
      1  -0.363199D+01  0.206336D+01 -0.962635D+01 -0.181585D+01 -0.530489D+01
      2  -0.252615D+00 -0.403916D+01  0.149619D+02  0.822269D+01 -0.136148D+01
      3   0.388460D+01  0.197580D+01 -0.533559D+01 -0.640684D+01  0.666637D+01
      4  -0.733569D+00 -0.985861D+01 -0.243780D+01  0.141384D+01 -0.599134D+01
      5   0.123845D+00 -0.612936D+01  0.156355D+01  0.657714D-01  0.573990D+01
      6   0.151869D+01 -0.311928D+01  0.656629D+01 -0.166424D+01  0.177174D+00
                26            27            28            29            30 
      1  -0.258818D+01 -0.838790D+01  0.128564D+02 -0.118559D+02 -0.467310D+00
      2   0.464402D+01 -0.257399D+01 -0.881125D+01  0.881892D+01 -0.153070D+01
      3  -0.205584D+01  0.109619D+02 -0.404515D+01  0.303693D+01  0.199801D+01
      4   0.215903D+01  0.167768D+01 -0.807139D+01 -0.177601D+02 -0.369886D+01
      5   0.133494D+01 -0.100764D+01  0.160661D+01 -0.258626D+01 -0.545578D+01
      6   0.736448D+01 -0.325677D+01 -0.221386D+01 -0.195964D+01  0.499695D+01
                31            32            33            34            35 
      1   0.111134D+01  0.872673D+01  0.537337D+01  0.237891D+01  0.447040D+01
      2  -0.894862D+01 -0.116274D+02 -0.853203D+01 -0.489521D+01 -0.116034D+02
      3   0.783728D+01  0.290064D+01  0.315866D+01  0.251631D+01  0.713305D+01
      4   0.113340D+02 -0.126852D+02 -0.211087D+01 -0.710566D+00 -0.295290D+01
      5  -0.519893D+00 -0.255222D+01 -0.110770D+01  0.348624D+01 -0.563212D+01
      6  -0.610587D+01 -0.111680D+02  0.387456D+01  0.127794D+01  0.114846D+02
                36            37            38            39            40 
      1  -0.150401D+02 -0.140779D+01  0.242141D+02  0.652432D+01 -0.267254D+02
      2  -0.162034D+01 -0.196851D+01 -0.151217D+02  0.586460D+00  0.260903D+02
      3   0.166604D+02  0.337630D+01 -0.909238D+01 -0.711078D+01  0.635142D+00
      4  -0.719590D+01  0.173320D+02  0.286327D+01  0.218703D+01  0.223514D+01
      5  -0.504929D+01  0.425318D+00  0.324128D+00  0.584952D+01 -0.555597D+01
      6   0.427093D+01  0.702939D+00 -0.135783D+01 -0.750245D+01  0.861552D+01
                41            42            43            44            45 
      1   0.441736D+01  0.157767D+01 -0.844732D+01  0.422784D+01  0.220368D+01
      2  -0.779516D+01 -0.196408D+01  0.110785D+02 -0.872038D+01 -0.914583D+01
      3   0.337779D+01  0.386414D+00 -0.263117D+01  0.449254D+01  0.694214D+01
      4   0.963366D+01  0.109169D+02 -0.224364D+01  0.989859D+01 -0.123517D+02
      5   0.933141D+01 -0.131458D+02  0.189735D+02 -0.130401D+02 -0.101456D+02
      6  -0.789873D+01  0.478358D+01 -0.524665D+01  0.111324D+02 -0.466634D+00
                46            47            48            49            50 
      1  -0.154746D+02 -0.396171D+01 -0.580761D+01  0.971589D+01 -0.204934D+02
      2   0.901991D+01  0.291235D+01  0.195844D+01 -0.856629D+01  0.185000D+02
      3   0.645472D+01  0.104936D+01  0.384917D+01 -0.114960D+01  0.199334D+01
      4  -0.249065D+01  0.231671D+02 -0.971245D-01 -0.191579D+02 -0.389852D+01
      5  -0.468468D+01 -0.414549D+00  0.210052D+02 -0.143465D+02 -0.139197D+01
      6   0.592366D+00  0.113750D+00  0.255259D+01 -0.345260D+01  0.524627D+01
                51            52            53            54            55 
      1  -0.882047D+01 -0.338781D+01 -0.897196D+01  0.119449D+02  0.124254D+02
      2   0.118753D+02 -0.786173D+00  0.641838D+01 -0.151704D+02 -0.393967D+01
      3  -0.305483D+01  0.417398D+01  0.255358D+01  0.322550D+01 -0.848576D+01
      4  -0.427364D+01 -0.145097D+02 -0.140553D+01  0.149248D+01  0.218238D+01
      5   0.217020D+01  0.343744D+02  0.278255D+01  0.565800D+01  0.703339D+01
      6  -0.405911D+01  0.106432D+01  0.719015D+01 -0.447508D+01  0.215820D+01
                56            57            58            59            60 
      1   0.100238D+01 -0.159472D+01  0.107865D+02  0.522671D+01  0.763385D+01
      2   0.273589D+01 -0.175763D+01 -0.702483D+01 -0.116814D+02 -0.157061D+02
      3  -0.373827D+01  0.335235D+01 -0.376164D+01  0.645465D+01  0.807225D+01
      4  -0.114388D+02  0.347136D+01 -0.136777D+02 -0.228957D+02 -0.190918D+02
      5   0.350823D+01 -0.162312D+02  0.153821D+02 -0.168058D+02 -0.323994D+01
      6  -0.576591D+00 -0.864373D+00 -0.564134D+01 -0.128800D+02 -0.689400D+01
                61            62            63            64            65 
      1   0.567967D+01  0.695080D+01 -0.562316D+01 -0.361528D+02 -0.203275D+00
      2  -0.112938D+02 -0.388172D+01  0.694596D+01  0.247033D+02 -0.512341D+01
      3   0.561411D+01 -0.306908D+01 -0.132280D+01  0.114496D+02  0.532669D+01
      4   0.142937D+02 -0.195046D+02 -0.137788D+02 -0.268006D+01  0.144959D+02
      5  -0.295296D+02 -0.131499D+02  0.101902D+02 -0.164225D+02 -0.121198D+01
      6  -0.782642D+01 -0.105114D+02  0.279334D+01 -0.140379D+01  0.142774D+01
                66            67            68            69            70 
      1  -0.102337D+02 -0.109556D+02 -0.314852D+01 -0.324023D+01 -0.942280D+01
      2   0.714424D+00  0.263063D+01  0.132491D+02 -0.219828D+01  0.217540D+01
      3   0.951931D+01  0.832494D+01 -0.101006D+02  0.543852D+01  0.724741D+01
      4   0.104658D+01  0.185581D+02 -0.966821D+01  0.122900D+02 -0.133419D+01
      5   0.128020D+02 -0.100230D+02  0.112483D+02  0.687875D+00  0.115826D+02
      6  -0.381044D+01  0.614125D+01 -0.438137D+01  0.695531D+01 -0.204728D+01
                71            72            73            74            75 
      1   0.275731D+00  0.158670D+02 -0.599957D+02 -0.172215D+02  0.101542D+02
      2  -0.868437D+01  0.252324D+00  0.243070D+02  0.102334D+02 -0.960469D+00
      3   0.840864D+01 -0.161193D+02  0.356887D+02  0.698809D+01 -0.919372D+01
      4   0.471205D+01  0.136353D+01 -0.224177D+02  0.815434D+01 -0.328961D+01
      5   0.389869D+01 -0.157136D+02  0.143741D+02 -0.222366D+00  0.135823D+02
      6   0.503810D+01  0.829412D+01  0.414648D+01 -0.755563D+01  0.468733D+01
                76            77            78            79            80 
      1  -0.176289D+02  0.199756D+02 -0.484685D+01 -0.104078D+00 -0.644628D+01
      2   0.940462D+01 -0.513403D+01  0.134317D+02  0.918709D+01  0.121218D+02
      3   0.822431D+01 -0.148416D+02 -0.858484D+01 -0.908301D+01 -0.567549D+01
      4   0.722805D+01  0.279883D+01  0.186045D+02 -0.936357D+01  0.135903D+02
      5  -0.320188D+01  0.136941D+02  0.851921D+01  0.252429D+02  0.115370D+02
      6  -0.438074D+01  0.432078D+01 -0.132193D+02  0.891869D+01 -0.865419D+01
                81            82            83            84            85 
      1   0.128984D+02  0.726140D+02 -0.266278D+01  0.102405D+02  0.468421D+01
      2  -0.124749D+02 -0.427749D+02  0.114430D+01 -0.900700D+01 -0.174899D+01
      3  -0.423504D+00 -0.298391D+02  0.151848D+01 -0.123350D+01 -0.293522D+01
      4   0.119458D+02 -0.136509D+02  0.681691D+01 -0.381366D+01  0.495158D+01
      5  -0.145909D+02  0.292746D+02 -0.296602D+01  0.139865D+02 -0.553623D+00
      6  -0.575227D+01 -0.215430D+01  0.197203D+01 -0.233587D+01  0.166894D+01
                86            87            88            89            90 
      1   0.224823D+01 -0.170920D+01  0.411032D+01 -0.132995D+01  0.376302D+01
      2   0.417959D+00  0.150070D+01 -0.301186D+01  0.113460D+01 -0.379303D+01
      3  -0.266619D+01  0.208507D+00 -0.109846D+01  0.195357D+00  0.300007D-01
      4  -0.171289D+01 -0.125938D+00 -0.257138D+01 -0.382839D+00 -0.134446D+01
      5  -0.120902D+00 -0.505290D+00  0.947572D+01 -0.151603D+01  0.487849D+01
      6  -0.967990D-01  0.109703D+01 -0.133148D+01  0.901131D+00 -0.899249D+00
                91            92            93            94            95 
      1   0.109034D+01  0.254078D+01  0.210755D+01  0.694811D+00 -0.130620D+02
      2   0.191658D+01 -0.117657D+00 -0.823585D-01  0.212660D+01  0.210841D+02
      3  -0.300692D+01 -0.242312D+01 -0.202520D+01 -0.282141D+01 -0.802205D+01
      4   0.777519D+01  0.119707D+02  0.325251D+01  0.111498D+02  0.305144D+02
      5   0.320057D+01  0.319265D+01  0.723135D+01  0.316721D+01  0.888962D+01
      6   0.449616D+01  0.208655D+01  0.118210D+01  0.315262D+01  0.167282D+02
                96            97            98            99           100 
      1  -0.518671D+01  0.601441D+00 -0.675328D+01 -0.536508D+01  0.427088D+01
      2   0.729990D+01  0.106488D+01  0.515668D+01  0.166261D+01 -0.303707D+01
      3  -0.211319D+01 -0.166632D+01  0.159661D+01  0.370246D+01 -0.123381D+01
      4   0.983659D+01  0.279486D+01  0.136563D+02  0.967684D+01 -0.872490D+00
      5   0.916582D+01  0.823199D+01  0.876455D+01  0.775064D+01 -0.284756D+01
      6   0.105649D+02  0.322790D+01  0.131277D+02  0.953243D+01  0.215030D+01
               101           102           103           104           105 
      1  -0.160596D+01 -0.539987D+01 -0.522160D+01 -0.812188D+01 -0.578713D+01
      2   0.652719D+00  0.516792D+00  0.370041D+01 -0.854914D-02 -0.666978D+01
      3   0.953244D+00  0.488307D+01  0.152118D+01  0.813043D+01  0.124569D+02
      4  -0.448069D+00  0.433867D+00  0.179890D+01 -0.162800D+02 -0.111661D+02
      5   0.184630D+01  0.153514D+00  0.736852D+01 -0.920670D+01 -0.145866D+02
      6   0.175497D+01 -0.152323D+00 -0.748501D-01  0.119414D+02  0.100053D+02
               106           107           108           109           110 
      1  -0.379467D+01 -0.411496D+01 -0.111467D+02 -0.133547D+01  0.982617D+01
      2   0.253310D+01 -0.543442D+01 -0.727357D+01  0.198254D+01 -0.672851D+01
      3   0.126157D+01  0.954938D+01  0.184202D+02 -0.647069D+00 -0.309766D+01
      4   0.112435D+01 -0.949656D+01 -0.864344D+01  0.218891D+01 -0.236637D+01
      5   0.430547D+01 -0.731409D+01 -0.142137D+02  0.375956D+00 -0.463775D+00
      6  -0.780727D+00  0.937375D+01  0.786886D+01 -0.398854D+01  0.638138D+01
               111           112           113           114           115 
      1  -0.813427D+01  0.985398D+01 -0.205687D+02  0.127447D+02 -0.388341D+01
      2   0.187084D+01 -0.580939D+01  0.175643D+02 -0.579096D+01  0.616442D+00
      3   0.626343D+01 -0.404458D+01  0.300442D+01 -0.695376D+01  0.326696D+01
      4   0.142069D+01  0.244219D+01  0.163560D+02 -0.105731D+02  0.815905D-01
      5  -0.247556D+01 -0.431742D+01 -0.769181D+01  0.772099D+01  0.169416D+01
      6  -0.530518D+01  0.226391D+01 -0.188115D+02  0.151095D+02 -0.232823D+01
               116           117           118           119           120 
      1   0.103204D+02 -0.143357D+02  0.869243D+02  0.112067D+02 -0.615450D+01
      2  -0.387237D+01  0.176872D+01 -0.431895D+02 -0.371175D+01  0.686648D+01
      3  -0.644803D+01  0.125670D+02 -0.437348D+02 -0.749495D+01 -0.711973D+00
      4  -0.749369D+01  0.547847D+01  0.262604D+02  0.143972D+02 -0.328341D+01
      5   0.476575D+01 -0.689912D+01 -0.303759D+02 -0.501893D+01  0.151126D+02
      6   0.130966D+02 -0.116681D+02 -0.511146D+01 -0.344757D+01  0.282943D+01
               121           122           123           124           125 
      1   0.966954D+01  0.607520D+01  0.377555D+00  0.432488D+01  0.964904D+00
      2  -0.252272D+01 -0.179063D+01 -0.485890D+00  0.753718D+00 -0.342498D+00
      3  -0.714682D+01 -0.428457D+01  0.108335D+00 -0.507860D+01 -0.622406D+00
      4   0.154891D+02  0.723754D+01 -0.347244D+01  0.162716D+01 -0.547321D+00
      5  -0.366072D+01 -0.458053D+01  0.182924D+01  0.956112D+01  0.833683D+00
      6  -0.290857D+01 -0.206211D+01  0.339241D+01  0.186198D+01  0.229428D+01
               126           127           128           129           130 
      1   0.563559D+01 -0.530127D+01 -0.863383D+01 -0.295737D+01 -0.781189D+01
      2  -0.388568D+01  0.649415D+01  0.998899D+01  0.198464D+01  0.932435D+01
      3  -0.174991D+01 -0.119288D+01 -0.135516D+01  0.972723D+00 -0.151246D+01
      4   0.168911D+01  0.347803D+01  0.686779D+01  0.144963D+01  0.500340D+01
      5  -0.169072D+01  0.112161D+01  0.133671D+01  0.161894D+01  0.104232D+01
      6  -0.106623D+00  0.265970D+01  0.376645D+01  0.278087D+01  0.331711D+01
               131           132           133           134           135 
      1  -0.319221D+02 -0.891269D+01 -0.253269D+01 -0.889831D+01 -0.389467D+01
      2   0.409058D+02  0.809693D+01  0.284921D+01  0.103512D+02  0.414894D+01
      3  -0.898373D+01  0.815754D+00 -0.316516D+00 -0.145287D+01 -0.254270D+00
      4  -0.941033D+00 -0.712246D+00  0.142883D+01 -0.204921D+00  0.134688D+01
      5  -0.703594D+00 -0.298149D-05  0.906186D+00  0.480180D+00  0.680684D+00
      6   0.136874D+02  0.915068D+01  0.119618D+01  0.560512D+01  0.396908D+01
               136           137           138           139           140 
      1   0.216264D+02 -0.134357D+02 -0.279169D+01 -0.881703D+01  0.313952D+01
      2  -0.374275D+01 -0.125390D+01  0.952192D+00 -0.634307D+01  0.166828D+02
      3  -0.178836D+02  0.146896D+02  0.183950D+01  0.151601D+02 -0.198223D+02
      4  -0.329348D+02  0.303150D+02  0.483582D+01  0.335091D+02 -0.434635D+02
      5  -0.687446D+01  0.498292D+01  0.623300D+01  0.725226D+01 -0.848802D+01
      6   0.273413D+01 -0.231108D+01 -0.325114D+01 -0.459918D+01  0.650494D+01
               141           142           143           144           145 
      1   0.747444D+00 -0.116591D+01  0.379600D-01  0.247421D-01  0.101751D+03
      2   0.102463D+01 -0.134353D+01  0.320292D+01  0.122584D+01 -0.569859D+02
      3  -0.177207D+01  0.250943D+01 -0.324088D+01 -0.125058D+01 -0.447652D+02
      4  -0.797980D+01  0.665589D+01 -0.849358D+01 -0.373041D+01  0.132363D+02
      5  -0.631658D+01  0.289545D+01 -0.303901D+01 -0.180742D+01  0.997979D+01
      6   0.614344D+01 -0.217875D+01  0.296951D+01  0.214799D+01 -0.222753D+01
               146           147           148           149           150 
      1   0.866959D+01  0.663194D+01  0.681919D+01  0.939731D+01  0.203694D+01
      2  -0.426352D+01 -0.444223D+01 -0.298114D+01 -0.422386D+01 -0.163966D+01
      3  -0.440606D+01 -0.218971D+01 -0.383805D+01 -0.517345D+01 -0.397284D+00
      4   0.954118D+01  0.677745D+00  0.152962D+02  0.401621D+01  0.138442D+01
      5   0.646823D+00  0.102362D+02  0.414178D+01  0.152674D+01  0.144960D+01
      6   0.241181D+00  0.493151D+00  0.814671D+00 -0.169267D-01  0.141752D+01
               151           152           153           154           155 
      1   0.758848D+01  0.221965D+01  0.359152D+01  0.554446D+01  0.451617D+01
      2  -0.409384D+01 -0.114073D+01 -0.207021D+01  0.319671D+01  0.507357D+01
      3  -0.349464D+01 -0.107892D+01 -0.152131D+01 -0.874117D+01 -0.958974D+01
      4   0.431781D+01  0.154326D+01  0.838136D+00  0.187453D+02  0.232921D+02
      5   0.270122D+01  0.495184D+00  0.124395D+01  0.488844D+01  0.555699D+01
      6   0.145174D+00  0.437796D+00  0.411410D+00  0.370677D+01  0.427604D+01
               156           157           158           159           160 
      1   0.108223D+01 -0.112414D+01 -0.156870D+02 -0.391577D+01  0.918607D-01
      2   0.374861D+00  0.112998D+02  0.365411D+02  0.593239D+01  0.232228D+01
      3  -0.145709D+01 -0.101756D+02 -0.208541D+02 -0.201662D+01 -0.241414D+01
      4   0.567974D+01  0.243489D+02  0.462466D+02  0.107908D+02  0.696010D+01
      5   0.495259D+01  0.593999D+01  0.104548D+02  0.668295D+01  0.271518D+01
      6   0.310549D+01  0.593850D+01  0.141399D+02  0.948248D+01  0.271709D+01
               161           162           163           164           165 
      1  -0.337843D+01 -0.205795D+01 -0.441219D+01  0.660900D+01  0.999767D+00
      2   0.798892D+01  0.325023D+01  0.604585D+01 -0.915279D+01 -0.732890D+00
      3  -0.461049D+01 -0.119228D+01 -0.163366D+01  0.254379D+01 -0.266877D+00
      4   0.127672D+02  0.473871D+01 -0.835766D+01  0.713638D+01  0.759131D+00
      5   0.390824D+01  0.270857D+01 -0.549197D+00  0.616453D+00  0.141376D+01
      6   0.561961D+01  0.397357D+01  0.899322D+00 -0.163862D+01 -0.238730D+01
               166           167           168           169           170 
      1   0.804473D+01 -0.196512D+02 -0.378660D+01  0.144025D+01 -0.391727D+01
      2  -0.106048D+02  0.262255D+02  0.312652D+01 -0.187919D+01  0.452739D+01
      3   0.256012D+01 -0.657430D+01  0.660075D+00  0.438943D+00 -0.610121D+00
      4   0.770980D+01 -0.800857D+01 -0.964312D+00  0.118287D+01 -0.128940D+01
      5   0.972266D+00 -0.115123D+01 -0.141935D+01  0.112480D+01 -0.818650D+00
      6  -0.260842D+01  0.518497D+01  0.514974D+01 -0.121340D+01  0.265294D+01
               171           172           173           174           175 
      1  -0.121272D+01 -0.286040D+01 -0.215346D+01  0.950661D+01 -0.102634D+01
      2   0.181834D+01 -0.643990D+00  0.150952D+00  0.105083D+01  0.427002D+00
      3  -0.605614D+00  0.350439D+01  0.200251D+01 -0.105574D+02  0.599339D+00
      4  -0.212864D+01  0.500302D+00 -0.207044D+01 -0.362650D+00  0.260661D+01
      5  -0.114228D+01  0.170363D+01  0.995216D+00 -0.501143D+01 -0.528476D+00
      6   0.161508D+01 -0.111697D+01 -0.142398D+01  0.370226D+01 -0.298576D+00
               176           177           178           179           180 
      1  -0.318171D+01  0.477426D+01  0.791857D+01  0.644650D+01 -0.231722D+02
      2   0.149756D+01  0.196646D+01 -0.361685D+01  0.151233D+01 -0.110236D+02
      3   0.168415D+01 -0.674071D+01 -0.430172D+01 -0.795883D+01  0.341958D+02
      4  -0.542329D+01  0.127672D+01 -0.281278D+01  0.328272D+01 -0.688988D+01
      5   0.161484D+01 -0.924835D+01  0.614905D+01 -0.893904D+01  0.302619D+02
      6  -0.249611D+01  0.766261D+01  0.489757D+00  0.726167D+01 -0.156144D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:41:05 2021, MaxMem=  5368709120 cpu:           15740.0 elap:            1973.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.60295 -10.47017 -10.44384 -10.43989 -10.43863
 Alpha  occ. eigenvalues --  -10.43830 -10.43780 -10.43360 -10.42597  -1.03830
 Alpha  occ. eigenvalues --   -0.99463  -0.90208  -0.88165  -0.85545  -0.75816
 Alpha  occ. eigenvalues --   -0.73177  -0.69390  -0.63605  -0.60390  -0.59976
 Alpha  occ. eigenvalues --   -0.56695  -0.54269  -0.54074  -0.52586  -0.49646
 Alpha  occ. eigenvalues --   -0.48336  -0.47633  -0.46771  -0.43859  -0.42895
 Alpha  occ. eigenvalues --   -0.35889  -0.34856  -0.33672
 Alpha virt. eigenvalues --   -0.01246  -0.00481  -0.00059   0.00427   0.01219
 Alpha virt. eigenvalues --    0.01486   0.02358   0.03095   0.03411   0.04104
 Alpha virt. eigenvalues --    0.04251   0.05899   0.05969   0.06860   0.07676
 Alpha virt. eigenvalues --    0.08541   0.09497   0.09601   0.09973   0.10200
 Alpha virt. eigenvalues --    0.10878   0.11243   0.11863   0.12333   0.12681
 Alpha virt. eigenvalues --    0.13015   0.13127   0.13331   0.13639   0.14264
 Alpha virt. eigenvalues --    0.14689   0.15215   0.15514   0.16180   0.16972
 Alpha virt. eigenvalues --    0.17173   0.18003   0.18765   0.19923   0.20751
 Alpha virt. eigenvalues --    0.21418   0.22796   0.24295   0.24907   0.25373
 Alpha virt. eigenvalues --    0.26246   0.26948   0.27343   0.27590   0.28425
 Alpha virt. eigenvalues --    0.29278   0.29463   0.30633   0.30909   0.31113
 Alpha virt. eigenvalues --    0.31343   0.31760   0.33495   0.33951   0.34356
 Alpha virt. eigenvalues --    0.35140   0.36141   0.36667   0.37020   0.37463
 Alpha virt. eigenvalues --    0.38336   0.38994   0.39502   0.40131   0.40673
 Alpha virt. eigenvalues --    0.41390   0.42978   0.44128   0.44285   0.45152
 Alpha virt. eigenvalues --    0.46126   0.46829   0.47669   0.47942   0.48634
 Alpha virt. eigenvalues --    0.49262   0.49714   0.50270   0.50777   0.51295
 Alpha virt. eigenvalues --    0.52892   0.53419   0.53737   0.54723   0.55171
 Alpha virt. eigenvalues --    0.55587   0.56071   0.56392   0.56851   0.57961
 Alpha virt. eigenvalues --    0.58825   0.59415   0.59862   0.61036   0.61303
 Alpha virt. eigenvalues --    0.61594   0.62557   0.63103   0.63620   0.63894
 Alpha virt. eigenvalues --    0.64179   0.65614   0.66959   0.67333   0.68102
 Alpha virt. eigenvalues --    0.68482   0.69300   0.69669   0.70754   0.70906
 Alpha virt. eigenvalues --    0.71821   0.72498   0.73449   0.74120   0.75025
 Alpha virt. eigenvalues --    0.76191   0.76411   0.77384   0.78079   0.80051
 Alpha virt. eigenvalues --    0.80638   0.81119   0.82902   0.83811   0.83905
 Alpha virt. eigenvalues --    0.84448   0.85095   0.85527   0.86257   0.87081
 Alpha virt. eigenvalues --    0.88362   0.88634   0.89641   0.90790   0.91428
 Alpha virt. eigenvalues --    0.92961   0.93479   0.95094   0.96010   0.98786
 Alpha virt. eigenvalues --    1.00493   1.01502   1.02171   1.03217   1.03963
 Alpha virt. eigenvalues --    1.04972   1.06611   1.07842   1.08827   1.12251
 Alpha virt. eigenvalues --    1.14922   1.16015   1.17361   1.19885   1.22959
 Alpha virt. eigenvalues --    1.25021   1.26209   1.34077   1.36686   1.36793
 Alpha virt. eigenvalues --    1.38304   1.39771   1.40516   1.42341   1.42788
 Alpha virt. eigenvalues --    1.44469   1.46487   1.47229   1.47556   1.49063
 Alpha virt. eigenvalues --    1.49073   1.50883   1.51635   1.53428   1.55722
 Alpha virt. eigenvalues --    1.56760   1.58498   1.59406   1.60366   1.61001
 Alpha virt. eigenvalues --    1.63275   1.64026   1.65783   1.68124   1.70048
 Alpha virt. eigenvalues --    1.72135   1.73466   1.74677   1.75789   1.76642
 Alpha virt. eigenvalues --    1.77286   1.78917   1.79642   1.80949   1.81608
 Alpha virt. eigenvalues --    1.82851   1.84650   1.85663   1.87368   1.90144
 Alpha virt. eigenvalues --    1.90305   1.91957   1.93679   1.94871   1.95368
 Alpha virt. eigenvalues --    1.96350   1.97640   1.99179   2.00546   2.02906
 Alpha virt. eigenvalues --    2.04642   2.05832   2.06779   2.08541   2.09936
 Alpha virt. eigenvalues --    2.10506   2.12363   2.13729   2.15243   2.15571
 Alpha virt. eigenvalues --    2.17669   2.18565   2.19795   2.21779   2.22814
 Alpha virt. eigenvalues --    2.24381   2.26579   2.28208   2.30833   2.31593
 Alpha virt. eigenvalues --    2.32393   2.36414   2.37347   2.39657   2.40605
 Alpha virt. eigenvalues --    2.43752   2.44998   2.48850   2.51970   2.54771
 Alpha virt. eigenvalues --    2.55314   2.57721   2.58947   2.60524   2.62143
 Alpha virt. eigenvalues --    2.63174   2.68052   2.68929   2.73337   2.74654
 Alpha virt. eigenvalues --    2.79808   2.80590   2.83333   2.88185   2.93256
 Alpha virt. eigenvalues --    2.94766   2.99534   3.03578   3.07368   3.09087
 Alpha virt. eigenvalues --    3.13447   3.14371   3.23425   3.43612   3.48014
 Alpha virt. eigenvalues --    3.61032   3.62036   4.54707
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.937938  -9.528098   6.330162  -8.180662   7.171129  -8.232977
     2  C   -9.528098  26.803905 -12.074872   4.119618  -7.169272   6.385805
     3  C    6.330162 -12.074872  26.322002 -14.689985   5.862708  -7.289580
     4  C   -8.180662   4.119618 -14.689985  30.672810  -9.792770   7.260018
     5  C    7.171129  -7.169272   5.862708  -9.792770  18.525746  -8.308592
     6  C   -8.232977   6.385805  -7.289580   7.260018  -8.308592  16.124733
     7  C   -0.476134  -1.168111  -2.892789  -1.781072  -0.041621   0.153777
     8  N   -0.071956   0.223174   0.504589  -0.102485  -0.116387   0.013393
     9  C    0.340780  -0.873986   0.471977  -0.643119   0.315001  -0.234278
    10  H   -0.006566  -0.070838   0.074223   0.037728   0.001644   0.001830
    11  H   -0.010521  -0.080418   0.612402  -0.042599   0.007115   0.006714
    12  H   -0.008802  -0.090657  -0.116822   0.096717   0.017497  -0.005548
    13  H   -0.021090   0.020519  -0.257479   0.049674  -0.023340   0.009886
    14  H    0.040569   0.006759   0.499699  -0.160713   0.013931  -0.014341
    15  H    0.064174   0.011236   1.386836  -2.589030   0.507150  -0.179537
    16  H   -0.258340   0.125755  -0.265781   1.063387  -1.689204   0.740875
    17  H    0.816325  -0.122033   0.107968  -0.193999   0.751197  -1.579154
    18  H   -1.755576   1.263386  -0.307278   0.122376  -0.283523   0.674501
    19  H    0.675391  -2.499506   1.009426  -0.133313   0.065114  -0.137495
    20  H    0.019320  -0.025765  -0.070093   0.003887   0.028211  -0.014490
               7          8          9         10         11         12
     1  C   -0.476134  -0.071956   0.340780  -0.006566  -0.010521  -0.008802
     2  C   -1.168111   0.223174  -0.873986  -0.070838  -0.080418  -0.090657
     3  C   -2.892789   0.504589   0.471977   0.074223   0.612402  -0.116822
     4  C   -1.781072  -0.102485  -0.643119   0.037728  -0.042599   0.096717
     5  C   -0.041621  -0.116387   0.315001   0.001644   0.007115   0.017497
     6  C    0.153777   0.013393  -0.234278   0.001830   0.006714  -0.005548
     7  C   13.956474  -0.916538   0.110086  -0.002582  -1.456099  -0.068443
     8  N   -0.916538   6.827059   0.021746   0.116197   0.167125  -0.095675
     9  C    0.110086   0.021746   4.955356  -0.060828   0.198132   0.420412
    10  H   -0.002582   0.116197  -0.060828   1.121427   0.008133  -0.012655
    11  H   -1.456099   0.167125   0.198132   0.008133   2.169735   0.099153
    12  H   -0.068443  -0.095675   0.420412  -0.012655   0.099153   1.608753
    13  H    0.253714   0.046319   0.151178   0.017266  -0.076470  -0.315819
    14  H   -0.204910   0.030581   0.039265  -0.030290  -0.016227  -0.386758
    15  H    0.208336   0.005013   0.044731  -0.004795  -0.073641   0.012693
    16  H    0.026320  -0.002447   0.002781   0.000081   0.002309  -0.000348
    17  H   -0.016435   0.000951  -0.003838   0.000049   0.000510   0.000201
    18  H    0.044360  -0.008578   0.000393   0.000902   0.001448   0.001250
    19  H    0.180259  -0.105596   0.084242   0.016806   0.019548  -0.037196
    20  H    0.196381   0.166385  -0.030852  -0.143923  -0.065915   0.015979
              13         14         15         16         17         18
     1  C   -0.021090   0.040569   0.064174  -0.258340   0.816325  -1.755576
     2  C    0.020519   0.006759   0.011236   0.125755  -0.122033   1.263386
     3  C   -0.257479   0.499699   1.386836  -0.265781   0.107968  -0.307278
     4  C    0.049674  -0.160713  -2.589030   1.063387  -0.193999   0.122376
     5  C   -0.023340   0.013931   0.507150  -1.689204   0.751197  -0.283523
     6  C    0.009886  -0.014341  -0.179537   0.740875  -1.579154   0.674501
     7  C    0.253714  -0.204910   0.208336   0.026320  -0.016435   0.044360
     8  N    0.046319   0.030581   0.005013  -0.002447   0.000951  -0.008578
     9  C    0.151178   0.039265   0.044731   0.002781  -0.003838   0.000393
    10  H    0.017266  -0.030290  -0.004795   0.000081   0.000049   0.000902
    11  H   -0.076470  -0.016227  -0.073641   0.002309   0.000510   0.001448
    12  H   -0.315819  -0.386758   0.012693  -0.000348   0.000201   0.001250
    13  H    1.655001  -0.330650  -0.022218  -0.001713   0.000220  -0.002177
    14  H   -0.330650   1.713472   0.000420   0.001187  -0.000193   0.000969
    15  H   -0.022218   0.000420   2.564535  -0.120998  -0.027594   0.014805
    16  H   -0.001713   0.001187  -0.120998   1.964282  -0.068054  -0.029098
    17  H    0.000220  -0.000193  -0.027594  -0.068054   1.938691  -0.076826
    18  H   -0.002177   0.000969   0.014805  -0.029098  -0.076826   1.999448
    19  H    0.015723   0.005013  -0.047739   0.014694  -0.025332  -0.140106
    20  H   -0.011238   0.009332   0.004249   0.000832   0.000062  -0.001088
              19         20
     1  C    0.675391   0.019320
     2  C   -2.499506  -0.025765
     3  C    1.009426  -0.070093
     4  C   -0.133313   0.003887
     5  C    0.065114   0.028211
     6  C   -0.137495  -0.014490
     7  C    0.180259   0.196381
     8  N   -0.105596   0.166385
     9  C    0.084242  -0.030852
    10  H    0.016806  -0.143923
    11  H    0.019548  -0.065915
    12  H   -0.037196   0.015979
    13  H    0.015723  -0.011238
    14  H    0.005013   0.009332
    15  H   -0.047739   0.004249
    16  H    0.014694   0.000832
    17  H   -0.025332   0.000062
    18  H   -0.140106  -0.001088
    19  H    2.892902  -0.028951
    20  H   -0.028951   1.024005
 Mulliken charges:
               1
     1  C    0.154931
     2  C    0.743400
     3  C    0.782685
     4  C    0.883531
     5  C    0.158265
     6  C    0.624460
     7  C   -0.104973
     8  N    0.297131
     9  C    0.690822
    10  H   -0.063809
    11  H   -0.470434
    12  H   -0.133932
    13  H   -0.157308
    14  H   -0.217115
    15  H   -0.758624
    16  H   -0.506518
    17  H   -0.502717
    18  H   -0.519586
    19  H   -0.823882
    20  H   -0.076328
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.364655
     2  C   -0.080481
     3  C    0.782685
     4  C    0.124907
     5  C   -0.348253
     6  C    0.121743
     7  C   -0.575407
     8  N    0.156994
     9  C    0.182468
 Electronic spatial extent (au):  <R**2>=           1286.1295
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6732    Y=             -0.8931    Z=             -0.6517  Tot=              1.2944
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.5237   YY=            -53.7930   ZZ=            -56.1437
   XY=              1.8666   XZ=              2.3161   YZ=              1.0336
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.2964   YY=             -0.9729   ZZ=             -3.3235
   XY=              1.8666   XZ=              2.3161   YZ=              1.0336
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -9.5388  YYY=             -2.5955  ZZZ=             -6.9006  XYY=              6.9994
  XXY=             -2.6506  XXZ=             -5.4326  XZZ=            -12.1590  YZZ=              3.0848
  YYZ=             -0.3754  XYZ=              4.1670
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1080.2990 YYYY=           -355.0978 ZZZZ=           -194.8185 XXXY=             -2.8517
 XXXZ=             31.4722 YYYX=              6.5531 YYYZ=             10.0405 ZZZX=             15.0141
 ZZZY=             -9.1711 XXYY=           -262.9122 XXZZ=           -239.8732 YYZZ=            -93.6697
 XXYZ=              1.7577 YYXZ=              2.8990 ZZXY=             -6.4782
 N-N= 4.257450469049D+02 E-N=-1.700425307588D+03  KE= 3.636645490888D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:41:05 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5932   -0.5945        0.1200    0.1145
 2      0.5932    0.5945       -2.9193   -2.9231      -13.0406  -13.0093
 3     -0.1200   -0.1145       27.8190   27.8025        2.9201    2.9231
 4      2.9193    2.9231       -0.0000    0.0000       -0.1206   -0.1145
 5    -14.7785  -14.7932        0.1206    0.1145       -0.5965   -0.5945
 6     -2.9201   -2.9231        0.5965    0.5945       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.7834    1.7834        0.3436    0.3436
 2      8.7692    8.7692       -0.0000    0.0000        0.3436    0.3436
 3      8.7692    8.7692        1.7834    1.7834        0.0000    0.0000
 4      1.7834    1.7834       -8.7692   -8.7692      -39.0278  -39.0278
 5     -0.3436   -0.3436       83.4075   83.4075        8.7692    8.7692
 6    -44.3796  -44.3796        0.3436    0.3436       -1.7834   -1.7834
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0519    0.0000        2.3905    2.3779       -0.6763   -0.4581
 2     -2.2946   -2.3779       11.3133   11.6922       52.2153   52.0371
 3      0.3491    0.4581     -110.8276 -111.2099      -11.7318  -11.6922
 4    -11.1680  -11.6922        0.0086    0.0000        0.0354    0.4581
 5     59.3627   59.1729       -0.0019   -0.4581        1.8946    2.3779
 6     12.0306   11.6922       -2.5756   -2.3779       -0.1351    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1013    0.0000       -3.4973   -3.2552       -5.2594   -5.7071
 2      2.7838    3.2552      -42.5612  -43.1179      -28.9989  -30.9802
 3      5.4549    5.7071      -21.8885  -22.4268       45.2082   43.1179
 4     43.2042   43.1179        0.1449    0.0000        5.6529    5.7071
 5     52.8063   53.4071       -5.6763   -5.7071       -3.1924   -3.2552
 6    -43.2970  -43.1179        3.1506    3.2552       -0.6225    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     28.7077   28.6888        1.8648    1.8175       14.7792   15.0345
 2     93.6258   93.5676       -3.7403   -4.0994       14.3154   15.0345
 3     93.4246   93.5676        2.1347    1.8175       10.3583   11.0191
 4      5.3562    5.9169      -64.6802  -64.8789      -36.7810  -37.7692
 5     -4.1731   -4.0154      -44.6158  -44.5640       65.5802   64.8789
 6     81.3965   82.3332        4.1682    4.0154       -7.5613   -5.9169
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      3.6870                 4.1096                 0.3399
  Dep-P Fr= 1--      0.7498                 0.7465                 0.3456
  Dep-U Fr= 1--      0.8570                 0.8549                 0.5136
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0030
 Beta2  Fr= 1--      0.5266                 0.5855                 0.0291
 AlphaG Fr= 1--      0.0001                 0.0009                -0.0021
 Gamma2 Fr= 1--     -0.6004                -0.1995                -0.0952
 Delta2 Fr= 1--     -0.7380                 0.0024                -0.0904
 Raman1 Fr= 1--      14.748                 16.438                  1.360
 ROA1   Fr= 1--     -81.253                -19.074                -12.034
 CID1   Fr= 1--      -5.509                 -1.160                 -8.851
 Raman2 Fr= 1--       6.320                  7.026                  0.349
 ROA2   Fr= 1--      -8.505                 -4.807                 -1.562
 CID2   Fr= 1--      -1.346                 -0.684                 -4.473
 Raman3 Fr= 1--      12.639                 14.052                  0.698
 ROA3   Fr= 1--     -81.253                -19.074                -12.034
 CID3   Fr= 1--      -6.429                 -1.357                -17.231
 RC180  Fr= 1--       0.714                  0.710                  0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.0840                 1.1765                 0.9461
  Dep-P Fr= 1--      0.7486                 0.4018                 0.1516
  Dep-U Fr= 1--      0.8562                 0.5732                 0.2633
 Alpha2 Fr= 1--      0.0000                 0.0087                 0.0146
 Beta2  Fr= 1--      0.0120                 0.1124                 0.0415
 AlphaG Fr= 1--     -0.0002                -0.0078                 0.0036
 Gamma2 Fr= 1--      0.0270                -0.1206                -0.5314
 Delta2 Fr= 1--      0.0557                -0.0536                -0.1113
 Raman1 Fr= 1--       0.336                  4.706                  3.785
 ROA1   Fr= 1--       4.378                -13.294                -54.580
 CID1   Fr= 1--      13.031                 -2.825                -14.422
 Raman2 Fr= 1--       0.144                  1.349                  0.498
 ROA2   Fr= 1--       0.203                 -2.465                -11.863
 CID2   Fr= 1--       1.414                 -1.828                -23.814
 Raman3 Fr= 1--       0.288                  2.698                  0.996
 ROA3   Fr= 1--       4.378                -13.294                -54.580
 CID3   Fr= 1--      15.219                 -4.928                -54.781
 RC180  Fr= 1--       0.712                  0.146                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      1.3037                 0.0108                 3.5202
  Dep-P Fr= 1--      0.3215                 0.5005                 0.0842
  Dep-U Fr= 1--      0.4866                 0.6672                 0.1553
 Alpha2 Fr= 1--      0.0125                 0.0001                 0.0641
 Beta2  Fr= 1--      0.1057                 0.0012                 0.0911
 AlphaG Fr= 1--      0.0061                -0.0014                -0.0088
 Gamma2 Fr= 1--      0.6148                -0.1508                 0.0777
 Delta2 Fr= 1--      0.1691                -0.0264                -0.1188
 Raman1 Fr= 1--       5.215                  0.043                 14.081
 ROA1   Fr= 1--      64.433                -15.319                  3.660
 CID1   Fr= 1--      12.356               -355.668                  0.260
 Raman2 Fr= 1--       1.269                  0.014                  1.093
 ROA2   Fr= 1--      13.402                 -3.408                  2.815
 CID2   Fr= 1--      10.565               -237.176                  2.575
 Raman3 Fr= 1--       2.537                  0.029                  2.187
 ROA3   Fr= 1--      64.433                -15.319                  3.660
 CID3   Fr= 1--      25.395               -533.111                  1.674
 RC180  Fr= 1--      -0.027                  0.334                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.5166                 1.2203                 4.3915
  Dep-P Fr= 1--      0.2267                 0.6813                 0.7425
  Dep-U Fr= 1--      0.3696                 0.8104                 0.8522
 Alpha2 Fr= 1--      0.0065                 0.0015                 0.0006
 Beta2  Fr= 1--      0.0318                 0.1648                 0.6238
 AlphaG Fr= 1--     -0.0005                 0.0014                -0.0036
 Gamma2 Fr= 1--      0.1421                -0.1711                -0.0744
 Delta2 Fr= 1--     -0.0050                -0.1485                -0.0669
 Raman1 Fr= 1--       2.067                  4.881                 17.566
 ROA1   Fr= 1--      13.477                -21.178                 -9.287
 CID1   Fr= 1--       6.521                 -4.339                 -0.529
 Raman2 Fr= 1--       0.382                  1.978                  7.485
 ROA2   Fr= 1--       3.450                 -2.919                 -1.251
 CID2   Fr= 1--       9.034                 -1.476                 -0.167
 Raman3 Fr= 1--       0.764                  3.956                 14.970
 ROA3   Fr= 1--      13.477                -21.178                 -9.287
 CID3   Fr= 1--      17.646                 -5.354                 -0.620
 RC180  Fr= 1--      -0.261                  0.621                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.1122                16.7606                 1.0223
  Dep-P Fr= 1--      0.2413                 0.0192                 0.7499
  Dep-U Fr= 1--      0.3888                 0.0377                 0.8571
 Alpha2 Fr= 1--      0.0014                 0.3561                 0.0000
 Beta2  Fr= 1--      0.0073                 0.1054                 0.1460
 AlphaG Fr= 1--     -0.0002                -0.0427                 0.0001
 Gamma2 Fr= 1--     -0.0339                 0.3543                 0.4087
 Delta2 Fr= 1--     -0.0068                 0.2343                -0.0616
 Raman1 Fr= 1--       0.449                 67.042                  4.089
 ROA1   Fr= 1--      -3.471                 41.509                 37.261
 CID1   Fr= 1--      -7.737                  0.619                  9.113
 Raman2 Fr= 1--       0.087                  1.265                  1.752
 ROA2   Fr= 1--      -0.760                  6.629                 10.302
 CID2   Fr= 1--      -8.708                  5.240                  5.879
 Raman3 Fr= 1--       0.174                  2.530                  3.505
 ROA3   Fr= 1--      -3.471                 41.509                 37.261
 CID3   Fr= 1--     -19.899                 16.405                 10.632
 RC180  Fr= 1--      -0.222                 -0.925                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.3630                 1.3614                 5.2405
  Dep-P Fr= 1--      0.7146                 0.6757                 0.6272
  Dep-U Fr= 1--      0.8336                 0.8065                 0.7709
 Alpha2 Fr= 1--      0.0008                 0.0018                 0.0117
 Beta2  Fr= 1--      0.1894                 0.1830                 0.6733
 AlphaG Fr= 1--      0.0043                 0.0016                 0.0016
 Gamma2 Fr= 1--     -1.0371                 0.8022                 1.0142
 Delta2 Fr= 1--     -0.5653                 0.6573                -0.3171
 Raman1 Fr= 1--       5.452                  5.446                 20.962
 ROA1   Fr= 1--    -117.653                 98.039                 87.216
 CID1   Fr= 1--     -21.580                 18.003                  4.161
 Raman2 Fr= 1--       2.272                  2.196                  8.080
 ROA2   Fr= 1--     -20.368                 13.994                 26.877
 CID2   Fr= 1--      -8.964                  6.373                  3.327
 Raman3 Fr= 1--       4.545                  4.392                 16.159
 ROA3   Fr= 1--    -117.653                 98.039                 87.216
 CID3   Fr= 1--     -25.889                 22.323                  5.397
 RC180  Fr= 1--       0.667                  0.613                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      1.0664                 0.0307                 0.3359
  Dep-P Fr= 1--      0.6930                 0.7170                 0.2004
  Dep-U Fr= 1--      0.8187                 0.8352                 0.3339
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0046
 Beta2  Fr= 1--      0.1455                 0.0043                 0.0187
 AlphaG Fr= 1--     -0.0046                 0.0011                -0.0032
 Gamma2 Fr= 1--     -1.3041                 0.1745                 0.4466
 Delta2 Fr= 1--      0.2559                -0.0780                -0.2209
 Raman1 Fr= 1--       4.266                  0.123                  1.344
 ROA1   Fr= 1--    -117.008                 14.259                 35.810
 CID1   Fr= 1--     -27.430                116.199                 26.654
 Raman2 Fr= 1--       1.746                  0.051                  0.224
 ROA2   Fr= 1--     -33.346                  4.813                 12.487
 CID2   Fr= 1--     -19.097                 93.924                 55.676
 Raman3 Fr= 1--       3.492                  0.102                  0.449
 ROA3   Fr= 1--    -117.008                 14.259                 35.810
 CID3   Fr= 1--     -33.505                139.131                 79.836
 RC180  Fr= 1--       0.637                  0.670                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      6.8900                51.3118                20.4172
  Dep-P Fr= 1--      0.4563                 0.0394                 0.0307
  Dep-U Fr= 1--      0.6267                 0.0759                 0.0596
 Alpha2 Fr= 1--      0.0412                 1.0393                 0.4222
 Beta2  Fr= 1--      0.7196                 0.6490                 0.2028
 AlphaG Fr= 1--     -0.0205                 0.0347                 0.0193
 Gamma2 Fr= 1--      1.4055                -0.4131                -0.1190
 Delta2 Fr= 1--      0.7842                -0.1399                 0.0471
 Raman1 Fr= 1--      27.560                205.247                 81.669
 ROA1   Fr= 1--     160.017                -44.136                 -9.916
 CID1   Fr= 1--       5.806                 -0.215                 -0.121
 Raman2 Fr= 1--       8.635                  7.788                  2.433
 ROA2   Fr= 1--      27.458                 -8.796                 -3.233
 CID2   Fr= 1--       3.180                 -1.129                 -1.329
 Raman3 Fr= 1--      17.271                 15.576                  4.867
 ROA3   Fr= 1--     160.017                -44.136                 -9.916
 CID3   Fr= 1--       9.265                 -2.834                 -2.038
 RC180  Fr= 1--       0.253                 -0.848                 -0.881
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      4.1028                 6.5709                 3.4206
  Dep-P Fr= 1--      0.1370                 0.1088                 0.5613
  Dep-U Fr= 1--      0.2410                 0.1963                 0.7190
 Alpha2 Fr= 1--      0.0655                 0.1126                 0.0123
 Beta2  Fr= 1--      0.1648                 0.2150                 0.4099
 AlphaG Fr= 1--      0.0015                 0.0513                 0.0459
 Gamma2 Fr= 1--      0.3796                 1.0755                -3.0423
 Delta2 Fr= 1--     -0.4817                 0.1957                -0.8819
 Raman1 Fr= 1--      16.411                 26.284                 13.682
 ROA1   Fr= 1--      21.023                109.507               -320.286
 CID1   Fr= 1--       1.281                  4.166                -23.409
 Raman2 Fr= 1--       1.978                  2.580                  4.919
 ROA2   Fr= 1--      12.963                 24.246                -65.961
 CID2   Fr= 1--       6.554                  9.398                -13.410
 Raman3 Fr= 1--       3.956                  5.160                  9.838
 ROA3   Fr= 1--      21.023                109.507               -320.286
 CID3   Fr= 1--       5.315                 21.223                -32.557
 RC180  Fr= 1--      -0.518                 -0.607                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      4.0358                10.6299                 6.2912
  Dep-P Fr= 1--      0.7381                 0.2144                 0.1611
  Dep-U Fr= 1--      0.8493                 0.3531                 0.2775
 Alpha2 Fr= 1--      0.0008                 0.1389                 0.0945
 Beta2  Fr= 1--      0.5713                 0.6255                 0.2909
 AlphaG Fr= 1--     -0.0002                 0.0313                 0.0154
 Gamma2 Fr= 1--      0.2368                 0.5587                -0.1327
 Delta2 Fr= 1--      0.0780                 0.9155                -0.0697
 Raman1 Fr= 1--      16.143                 42.519                 25.165
 ROA1   Fr= 1--      25.229                 82.931                -14.970
 CID1   Fr= 1--       1.563                  1.950                 -0.595
 Raman2 Fr= 1--       6.855                  7.506                  3.491
 ROA2   Fr= 1--       5.060                  6.084                 -2.627
 CID2   Fr= 1--       0.738                  0.811                 -0.753
 Raman3 Fr= 1--      13.711                 15.013                  6.982
 ROA3   Fr= 1--      25.229                 82.931                -14.970
 CID3   Fr= 1--       1.840                  5.524                 -2.144
 RC180  Fr= 1--       0.699                 -0.294                 -0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     12.5528                 1.5918                 0.5659
  Dep-P Fr= 1--      0.1677                 0.2227                 0.7095
  Dep-U Fr= 1--      0.2873                 0.3643                 0.8301
 Alpha2 Fr= 1--      0.1855                 0.0203                 0.0004
 Beta2  Fr= 1--      0.6010                 0.0966                 0.0783
 AlphaG Fr= 1--     -0.1207                 0.0294                -0.0014
 Gamma2 Fr= 1--     -1.3212                -0.6696                -0.5456
 Delta2 Fr= 1--      0.1976                -0.1235                 0.2109
 Raman1 Fr= 1--      50.211                  6.367                  2.263
 ROA1   Fr= 1--    -120.508                -68.231                -45.624
 CID1   Fr= 1--      -2.400                -10.716                -20.157
 Raman2 Fr= 1--       7.212                  1.160                  0.939
 ROA2   Fr= 1--     -33.289                -15.081                -14.781
 CID2   Fr= 1--      -4.616                -13.004                -15.734
 Raman3 Fr= 1--      14.424                  2.319                  1.879
 ROA3   Fr= 1--    -120.508                -68.231                -45.624
 CID3   Fr= 1--      -8.355                -29.416                -24.284
 RC180  Fr= 1--      -0.425                 -0.271                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--      8.8535                 2.7580                 0.7805
  Dep-P Fr= 1--      0.4000                 0.2459                 0.7457
  Dep-U Fr= 1--      0.5714                 0.3947                 0.8543
 Alpha2 Fr= 1--      0.0656                 0.0331                 0.0001
 Beta2  Fr= 1--      0.8431                 0.1814                 0.1111
 AlphaG Fr= 1--      0.0018                 0.0474                -0.0004
 Gamma2 Fr= 1--      1.4247                 0.3258                 0.0502
 Delta2 Fr= 1--     -0.2240                -0.7151                 0.0793
 Raman1 Fr= 1--      35.414                 11.032                  3.122
 ROA1   Fr= 1--     129.600                  8.393                  7.356
 CID1   Fr= 1--       3.660                  0.761                  2.356
 Raman2 Fr= 1--      10.118                  2.177                  1.334
 ROA2   Fr= 1--      35.983                 13.540                  0.570
 CID2   Fr= 1--       3.557                  6.219                  0.427
 Raman3 Fr= 1--      20.235                  4.355                  2.667
 ROA3   Fr= 1--     129.600                  8.393                  7.356
 CID3   Fr= 1--       6.405                  1.927                  2.758
 RC180  Fr= 1--       0.143                 -0.211                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.9283                 5.1086                 3.9376
  Dep-P Fr= 1--      0.6410                 0.6928                 0.6245
  Dep-U Fr= 1--      0.7812                 0.8185                 0.7689
 Alpha2 Fr= 1--      0.0058                 0.0051                 0.0090
 Beta2  Fr= 1--      0.3813                 0.6969                 0.5046
 AlphaG Fr= 1--     -0.0003                 0.0188                -0.0296
 Gamma2 Fr= 1--      4.7455                -1.5191                -2.4927
 Delta2 Fr= 1--     -1.4170                 0.9629                -0.2124
 Raman1 Fr= 1--      11.713                 20.434                 15.750
 ROA1   Fr= 1--     410.219               -115.020               -246.092
 CID1   Fr= 1--      35.022                 -5.629                -15.625
 Raman2 Fr= 1--       4.575                  8.363                  6.055
 ROA2   Fr= 1--     125.227                -44.161                -58.125
 CID2   Fr= 1--      27.371                 -5.280                 -9.600
 Raman3 Fr= 1--       9.150                 16.726                 12.110
 ROA3   Fr= 1--     410.219               -115.020               -246.092
 CID3   Fr= 1--      44.831                 -6.877                -20.322
 RC180  Fr= 1--       0.562                  0.637                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.2595                 8.1570                25.6530
  Dep-P Fr= 1--      0.7041                 0.7455                 0.6567
  Dep-U Fr= 1--      0.8263                 0.8542                 0.7928
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0428
 Beta2  Fr= 1--      0.0357                 1.1613                 3.3895
 AlphaG Fr= 1--      0.0016                 0.0076                 0.0019
 Gamma2 Fr= 1--     -0.0133                -1.3948                 2.7940
 Delta2 Fr= 1--     -0.0074                -0.1075                -0.1626
 Raman1 Fr= 1--       1.038                 32.628                102.612
 ROA1   Fr= 1--      -1.512               -137.343                263.020
 CID1   Fr= 1--      -1.457                 -4.209                  2.563
 Raman2 Fr= 1--       0.429                 13.935                 40.674
 ROA2   Fr= 1--      -0.260                -32.616                 68.357
 CID2   Fr= 1--      -0.607                 -2.341                  1.681
 Raman3 Fr= 1--       0.858                 27.871                 81.347
 ROA3   Fr= 1--      -1.512               -137.343                263.020
 CID3   Fr= 1--      -1.764                 -4.928                  3.233
 RC180  Fr= 1--       0.653                  0.708                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     11.7282                97.0097               226.5483
  Dep-P Fr= 1--      0.5925                 0.2356                 0.0658
  Dep-U Fr= 1--      0.7441                 0.3814                 0.1235
 Alpha2 Fr= 1--      0.0344                 1.1965                 4.3092
 Beta2  Fr= 1--      1.4545                 6.1665                 4.6618
 AlphaG Fr= 1--      0.0521                 1.0534                 0.0633
 Gamma2 Fr= 1--     -0.7548                 3.0685                 1.2849
 Delta2 Fr= 1--     -0.0787                 0.9893                -0.9384
 Raman1 Fr= 1--      46.913                388.039                906.193
 ROA1   Fr= 1--     -74.981                326.239                 93.325
 CID1   Fr= 1--      -1.598                  0.841                  0.103
 Raman2 Fr= 1--      17.454                 73.998                 55.942
 ROA2   Fr= 1--     -17.487                 65.730                 38.346
 CID2   Fr= 1--      -1.002                  0.888                  0.685
 Raman3 Fr= 1--      34.909                147.997                111.884
 ROA3   Fr= 1--     -74.981                326.239                 93.325
 CID3   Fr= 1--      -2.148                  2.204                  0.834
 RC180  Fr= 1--       0.488                 -0.237                 -0.753
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     86.8102                37.6990                48.5429
  Dep-P Fr= 1--      0.7455                 0.7190                 0.4895
  Dep-U Fr= 1--      0.8542                 0.8365                 0.6573
 Alpha2 Fr= 1--      0.0066                 0.0201                 0.2515
 Beta2  Fr= 1--     12.3588                 5.2562                 5.3178
 AlphaG Fr= 1--     -0.0034                -0.0621                -0.1032
 Gamma2 Fr= 1--     -1.1313                 0.0822                -0.7198
 Delta2 Fr= 1--      0.7839                 0.0243                 0.3378
 Raman1 Fr= 1--     347.241                150.796                194.172
 ROA1   Fr= 1--     -83.526                  8.666                -58.290
 CID1   Fr= 1--      -0.241                  0.057                 -0.300
 Raman2 Fr= 1--     148.305                 63.074                 63.813
 ROA2   Fr= 1--     -33.423                  1.778                -19.978
 CID2   Fr= 1--      -0.225                  0.028                 -0.313
 Raman3 Fr= 1--     296.611                126.148                127.626
 ROA3   Fr= 1--     -83.526                  8.666                -58.290
 CID3   Fr= 1--      -0.282                  0.069                 -0.457
 RC180  Fr= 1--       0.708                  0.673                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--    107.8446                86.7893               139.6200
  Dep-P Fr= 1--      0.6165                 0.7151                 0.1406
  Dep-U Fr= 1--      0.7628                 0.8339                 0.2465
 Alpha2 Fr= 1--      0.2639                 0.0523                 2.2102
 Beta2  Fr= 1--     13.7098                12.0620                 5.7371
 AlphaG Fr= 1--     -0.0449                -0.0193                -0.2161
 Gamma2 Fr= 1--      0.4239                -0.7648                 0.5980
 Delta2 Fr= 1--      0.2219                -0.3879                -3.0840
 Raman1 Fr= 1--     431.378                347.157                558.480
 ROA1   Fr= 1--      47.791                -85.837                -41.277
 CID1   Fr= 1--       0.111                 -0.247                 -0.074
 Raman2 Fr= 1--     164.517                144.744                 68.845
 ROA2   Fr= 1--       8.397                -15.253                 39.025
 CID2   Fr= 1--       0.051                 -0.105                  0.567
 Raman3 Fr= 1--     329.035                289.489                137.691
 ROA3   Fr= 1--      47.791                -85.837                -41.277
 CID3   Fr= 1--       0.145                 -0.297                 -0.300
 RC180  Fr= 1--       0.526                  0.668                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    212.7305               172.1980                83.7126
  Dep-P Fr= 1--      0.1047                 0.1045                 0.7015
  Dep-U Fr= 1--      0.1895                 0.1892                 0.8245
 Alpha2 Fr= 1--      3.6819                 2.9822                 0.0708
 Beta2  Fr= 1--      6.7204                 5.4288                11.5040
 AlphaG Fr= 1--      0.0566                -1.0575                 0.1263
 Gamma2 Fr= 1--     -0.6901                -1.9471                -4.7711
 Delta2 Fr= 1--      2.4156                 0.3844                -1.7022
 Raman1 Fr= 1--     850.922                688.792                334.850
 ROA1   Fr= 1--      11.052               -174.623               -512.500
 CID1   Fr= 1--       0.013                 -0.254                 -1.531
 Raman2 Fr= 1--      80.645                 65.145                138.048
 ROA2   Fr= 1--     -35.886                -49.806               -100.890
 CID2   Fr= 1--      -0.445                 -0.765                 -0.731
 Raman3 Fr= 1--     161.290                130.290                276.096
 ROA3   Fr= 1--      11.052               -174.623               -512.500
 CID3   Fr= 1--       0.069                 -1.340                 -1.856
 RC180  Fr= 1--      -0.621                 -0.622                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135375D+03  0.229055D+00  0.118894D+01
      2   0.229055D+00  0.109356D+03  0.584612D+01
      3   0.118894D+01  0.584612D+01  0.797698D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.162459D+01  0.194647D+01  0.562082D+00
      2   0.376060D+01  0.138655D+02 -0.114012D+02
      3  -0.381724D+01 -0.317167D+02 -0.128380D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676797D+02  0.530402D+01  0.312733D+01
      2  -0.194955D+02 -0.650866D+01 -0.789177D+01
      3  -0.481842D+02  0.120465D+01  0.476444D+01
      4  -0.601935D+01  0.621262D+02  0.340677D+02
      5   0.199878D+02  0.352002D+02 -0.314414D+02
      6   0.140506D+02  0.495336D+01 -0.420186D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.381035D+01 -0.574092D+00 -0.143942D+00  0.499940D+01  0.192677D+00
      2  -0.574092D+00  0.233040D+01 -0.323633D+00  0.192677D+00  0.113289D+01
      3  -0.143942D+00 -0.323633D+00  0.893875D+00 -0.504578D+00 -0.128031D+01
                 6             7             8             9            10 
      1  -0.504578D+00  0.773018D+00 -0.922384D+00  0.190085D+01  0.359921D+01
      2  -0.128031D+01 -0.922384D+00 -0.157133D+01  0.338885D+01 -0.656568D+00
      3   0.217963D+01  0.190085D+01  0.338885D+01  0.285050D+01  0.128522D+00
                11            12            13            14            15 
      1  -0.656568D+00  0.128522D+00  0.786331D+01  0.382904D-01  0.239517D+00
      2  -0.338812D+01 -0.537294D+00  0.382904D-01  0.176876D+01 -0.813273D+00
      3  -0.537294D+00 -0.209952D+01  0.239517D+00 -0.813273D+00  0.168740D+01
                16            17            18            19            20 
      1   0.254313D+01  0.207377D-01 -0.179499D+01 -0.166695D+02 -0.213821D+01
      2   0.207377D-01 -0.153779D+01  0.285557D+01 -0.213821D+01 -0.238271D+01
      3  -0.179499D+01  0.285557D+01  0.136905D+01  0.396085D+00  0.210683D+00
                21            22            23            24            25 
      1   0.396085D+00 -0.286748D+01  0.112827D+01  0.141870D+01 -0.739853D+00
      2   0.210683D+00  0.112827D+01 -0.426889D+00 -0.345827D+00  0.129106D+01
      3  -0.241843D+01  0.141870D+01 -0.345827D+00 -0.378798D-02 -0.377279D+01
                26            27            28            29            30 
      1   0.129106D+01 -0.377279D+01  0.483473D+01  0.246760D+01  0.734783D+00
      2  -0.659296D+00 -0.592668D+00  0.246760D+01 -0.239638D+01 -0.135224D+00
      3  -0.592668D+00 -0.765658D+00  0.734783D+00 -0.135224D+00 -0.134636D+01
                31            32            33            34            35 
      1  -0.668477D+01 -0.500288D+00  0.305829D+00 -0.856959D+00  0.105255D+01
      2  -0.500288D+00 -0.183950D+01  0.120610D+01  0.105255D+01  0.129446D+01
      3   0.305829D+00  0.120610D+01 -0.179987D+01 -0.833484D+00 -0.307680D+01
                36            37            38            39            40 
      1  -0.833484D+00 -0.227943D+01 -0.677703D+00 -0.391073D+00 -0.548123D+01
      2  -0.307680D+01 -0.677703D+00  0.264939D+01  0.790118D+00 -0.807887D+00
      3  -0.306316D+01 -0.391073D+00  0.790118D+00  0.212290D+01 -0.987282D+00
                41            42            43            44            45 
      1  -0.807887D+00 -0.987282D+00 -0.154126D+01 -0.824566D+00  0.289626D+01
      2  -0.990424D+00  0.149022D+01 -0.824566D+00  0.192514D+01 -0.287923D+01
      3   0.149022D+01 -0.199649D+01  0.289626D+01 -0.287923D+01 -0.170266D+01
                46            47            48            49            50 
      1   0.538948D+01  0.369562D+00 -0.520555D+00  0.972823D+00 -0.324609D+00
      2   0.369562D+00  0.333338D+01 -0.248613D-01 -0.324609D+00  0.210190D+00
      3  -0.520555D+00 -0.248613D-01  0.332451D+01 -0.141587D+01 -0.684866D+00
                51            52            53            54            55 
      1  -0.141587D+01 -0.103478D+00 -0.137429D+01  0.517741D+01  0.321622D+01
      2  -0.684866D+00 -0.137429D+01  0.773611D-01  0.382290D+00  0.414617D+00
      3   0.496708D-01  0.517741D+01  0.382290D+00  0.104534D+01 -0.131265D+01
                56            57            58            59            60 
      1   0.414617D+00 -0.131265D+01  0.296862D+00  0.238842D+01 -0.226355D+01
      2   0.111425D+01 -0.119037D+01  0.238842D+01  0.536433D+01  0.397128D+01
      3  -0.119037D+01  0.267624D+01 -0.226355D+01  0.397128D+01  0.119293D+01
                61            62            63            64            65 
      1  -0.560351D+01 -0.198179D+01  0.496839D+01  0.688319D+01  0.150975D+01
      2  -0.198179D+01  0.347771D+01  0.283099D+01  0.150975D+01 -0.938159D+00
      3   0.496839D+01  0.283099D+01 -0.233959D+01  0.124677D+01  0.612713D+00
                66            67            68            69            70 
      1   0.124677D+01  0.352325D+01 -0.200999D+01  0.139943D+01  0.147840D+01
      2   0.612713D+00 -0.200999D+01  0.100856D+01 -0.205951D+01  0.460623D+00
      3  -0.192724D+01  0.139943D+01 -0.205951D+01 -0.558339D+00 -0.190686D+01
                71            72            73            74            75 
      1   0.460623D+00 -0.190686D+01  0.957276D+01  0.212177D+01  0.915458D-01
      2  -0.501944D+00 -0.115752D+01  0.212177D+01 -0.217414D+01  0.117371D+01
      3  -0.115752D+01  0.499438D+01  0.915458D-01  0.117371D+01 -0.308054D+01
                76            77            78            79            80 
      1   0.168838D+01 -0.192290D+01  0.152663D+01  0.571867D+01  0.189252D+01
      2  -0.192290D+01  0.275047D+00 -0.435988D+01  0.189252D+01 -0.286563D+01
      3   0.152663D+01 -0.435988D+01 -0.122048D+01 -0.442293D+01 -0.180786D+01
                81            82            83            84            85 
      1  -0.442293D+01 -0.124156D+02  0.794899D+00 -0.238678D+01 -0.284115D+00
      2  -0.180786D+01  0.794899D+00 -0.814197D+00  0.432367D+00 -0.472395D+00
      3   0.188645D+01 -0.238678D+01  0.432367D+00 -0.164462D+01  0.144281D+00
                86            87            88            89            90 
      1  -0.472395D+00  0.144281D+00 -0.482837D+00  0.238070D+00 -0.905778D+00
      2   0.557173D+00  0.142188D+00  0.238070D+00  0.452451D+00  0.215613D+00
      3   0.142188D+00  0.379802D-01 -0.905778D+00  0.215613D+00 -0.535207D+00
                91            92            93            94            95 
      1   0.657180D-01 -0.138064D+01 -0.584619D+00 -0.259988D+01 -0.151647D+01
      2  -0.138064D+01 -0.126435D+01 -0.305251D+00 -0.151647D+01 -0.683028D+01
      3  -0.584619D+00 -0.305251D+00 -0.873182D+00 -0.440993D+00 -0.224856D+01
                96            97            98            99           100 
      1  -0.440993D+00 -0.575375D+00 -0.310405D+00 -0.122430D+01 -0.617747D+00
      2  -0.224856D+01 -0.310405D+00 -0.297256D+01 -0.220152D+01  0.537283D+00
      3  -0.215474D+01 -0.122430D+01 -0.220152D+01 -0.193872D+01  0.473275D+00
               101           102           103           104           105 
      1   0.537283D+00  0.473275D+00  0.164779D+01  0.245198D-01 -0.729842D+00
      2   0.420387D+00  0.527597D-02  0.245198D-01  0.323339D+01  0.229207D+01
      3   0.527597D-02  0.770992D+00 -0.729842D+00  0.229207D+01  0.324719D+01
               106           107           108           109           110 
      1   0.735631D+00 -0.249671D+00 -0.510666D-01  0.289051D+00 -0.110724D+01
      2  -0.249671D+00  0.193095D+01  0.170961D+01 -0.110724D+01  0.143772D+01
      3  -0.510666D-01  0.170961D+01  0.360051D+01  0.544811D+00 -0.941362D+00
               111           112           113           114           115 
      1   0.544811D+00 -0.167423D+01  0.560735D+00 -0.203755D+00  0.253957D+00
      2  -0.941362D+00  0.560735D+00 -0.461689D+01  0.284263D+01 -0.370051D+00
      3   0.158436D+01 -0.203755D+00  0.284263D+01 -0.254944D+01  0.550843D+00
               116           117           118           119           120 
      1  -0.370051D+00  0.550843D+00 -0.140788D+02 -0.218765D+01  0.179649D+01
      2   0.202162D+01 -0.178463D+01 -0.218765D+01 -0.122555D+01  0.349820D+00
      3  -0.178463D+01  0.263118D+01  0.179649D+01  0.349820D+00 -0.152785D+01
               121           122           123           124           125 
      1  -0.199798D+01 -0.157979D+01  0.161613D+00 -0.960723D+00 -0.229806D+00
      2  -0.157979D+01 -0.862800D+00  0.641756D+00 -0.229806D+00  0.845827D-01
      3   0.161613D+00  0.641756D+00 -0.223186D+00 -0.909479D+00 -0.731238D-01
               126           127           128           129           130 
      1  -0.909479D+00 -0.167126D+01 -0.174542D+01 -0.549810D+00 -0.149877D+01
      2  -0.731238D-01 -0.174542D+01 -0.205736D+01 -0.616241D+00 -0.203338D+01
      3  -0.569897D-01 -0.549810D+00 -0.616241D+00 -0.408678D+00 -0.546769D+00
               131           132           133           134           135 
      1  -0.203338D+01 -0.546769D+00 -0.673511D+00 -0.763343D+00 -0.148824D+00
      2  -0.798498D+01 -0.208831D+01 -0.763343D+00 -0.228532D+01 -0.713573D+00
      3  -0.208831D+01 -0.133868D+01 -0.148824D+00 -0.713573D+00 -0.430300D+00
               136           137           138           139           140 
      1   0.490205D+01 -0.384186D+01 -0.735751D+00 -0.368496D+01  0.441009D+01
      2  -0.384186D+01  0.351621D+01  0.554265D+00  0.441009D+01 -0.646118D+01
      3  -0.735751D+00  0.554265D+00  0.621483D+00  0.962525D+00 -0.123500D+01
               141           142           143           144           145 
      1   0.962525D+00 -0.730163D+00  0.863679D+00  0.242165D+00  0.134934D+02
      2  -0.123500D+01  0.863679D+00 -0.151235D+01 -0.353963D+00  0.122890D+01
      3  -0.944572D+00  0.242165D+00 -0.353963D+00 -0.226272D+00  0.103298D+01
               146           147           148           149           150 
      1   0.122890D+01  0.103298D+01  0.109913D+01  0.161766D+01  0.507056D+00
      2   0.858769D+00  0.741585D-01  0.161766D+01  0.444085D+00  0.153288D+00
      3   0.741585D-01  0.920454D+00  0.507056D+00  0.153288D+00  0.145043D+00
               151           152           153           154           155 
      1   0.101516D+01  0.481468D+00  0.465334D-01  0.231690D+01  0.263765D+01
      2   0.481468D+00  0.113291D+00  0.229245D-01  0.263765D+01  0.281904D+01
      3   0.465334D-01  0.229245D-01  0.105966D+00  0.753605D+00  0.744346D+00
               156           157           158           159           160 
      1   0.753605D+00  0.228902D+01  0.377407D+01  0.992251D+00  0.792685D+00
      2   0.744346D+00  0.377407D+01  0.917055D+01  0.220921D+01  0.116260D+01
      3   0.537977D+00  0.992251D+00  0.220921D+01  0.136479D+01  0.345202D+00
               161           162           163           164           165 
      1   0.116260D+01  0.345202D+00 -0.355834D+01  0.219233D+01  0.192588D+00
      2   0.247013D+01  0.661985D+00  0.219233D+01 -0.242915D+01 -0.256177D+00
      3   0.661985D+00  0.395604D+00  0.192588D+00 -0.256177D+00 -0.436359D+00
               166           167           168           169           170 
      1   0.242475D+01 -0.271938D+01 -0.504652D+00  0.258375D+00 -0.499554D+00
      2  -0.271938D+01  0.555086D+01  0.887387D+00 -0.499554D+00  0.117010D+01
      3  -0.504652D+00  0.887387D+00  0.862881D+00 -0.967043D-01  0.316933D+00
               171           172           173           174           175 
      1  -0.967043D-01  0.538412D+00  0.350173D-01 -0.766259D+00 -0.312883D-01
      2   0.316933D+00  0.350173D-01  0.590561D+00 -0.617049D+00 -0.247636D+00
      3   0.251628D+00 -0.766259D+00 -0.617049D+00  0.230998D+01 -0.605479D-01
               176           177           178           179           180 
      1  -0.247636D+00 -0.605479D-01 -0.130137D+01  0.625576D-01 -0.604448D-01
      2   0.129710D+01 -0.720607D+00  0.625576D-01 -0.111158D+01  0.225612D+01
      3  -0.720607D+00  0.202206D+01 -0.604448D-01  0.225612D+01 -0.807206D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.476672D-02  0.105592D+01 -0.239501D+01  0.163175D+01  0.251976D+00
      2  -0.732756D+00  0.286885D+01  0.460652D+00  0.115376D+01 -0.368948D+01
      3   0.221203D+01 -0.123121D+02 -0.253430D+01  0.405665D+01 -0.117056D+01
                 6             7             8             9            10 
      1  -0.371988D+01 -0.476427D+01  0.989491D+00 -0.139114D+01 -0.300112D+00
      2   0.564998D+01 -0.808692D+01  0.810081D+01  0.487687D+01  0.154757D+01
      3   0.216170D+01 -0.301083D+00  0.305721D+01 -0.403370D+01  0.112506D+01
                11            12            13            14            15 
      1  -0.403835D+00  0.321092D+01 -0.831105D+00  0.669002D-01 -0.255071D+01
      2   0.518964D+00 -0.175215D+01  0.408121D+01  0.705145D+00  0.760268D+00
      3   0.547213D+00  0.974614D+00  0.355665D+01 -0.630268D+01  0.101260D+01
                16            17            18            19            20 
      1   0.641439D+01  0.320188D+01  0.252131D+00 -0.103532D+01 -0.214856D+00
      2  -0.118012D+02 -0.251509D-01  0.448534D+00 -0.372768D+01 -0.112093D+01
      3  -0.124894D+01  0.199796D+00 -0.574048D+01  0.550056D+00  0.686551D+01
                21            22            23            24            25 
      1   0.862853D-02 -0.122214D+01 -0.383495D+01  0.123630D+01 -0.359465D+00
      2  -0.169687D+01 -0.994203D+00  0.929447D+00  0.395922D+00 -0.147681D+02
      3   0.981443D+00  0.156936D+02  0.164930D+01 -0.195032D+01 -0.363967D+00
                26            27            28            29            30 
      1   0.945697D+01  0.279203D+01  0.145756D+00  0.169345D+01 -0.237720D+01
      2   0.415195D+00 -0.213846D+00  0.394116D+01  0.193361D+01 -0.141672D+01
      3  -0.815618D+00  0.245327D+00 -0.553101D+01 -0.327443D+01 -0.259991D+01
                31            32            33            34            35 
      1   0.103664D+01  0.913469D+00 -0.315549D+01 -0.490614D+01  0.129028D+01
      2   0.150989D+01 -0.546383D+00 -0.146671D+01 -0.133243D+02 -0.117274D+01
      3   0.412874D+01  0.573964D+01 -0.789576D-01 -0.263360D+01 -0.109557D+01
                36            37            38            39            40 
      1  -0.971433D+00 -0.391152D+00 -0.118600D+01  0.345831D+01 -0.154182D+01
      2  -0.285252D+01 -0.104100D+01  0.177617D+01  0.288228D+01 -0.110132D+01
      3   0.494101D+01  0.319240D+01 -0.995678D+01 -0.196386D+01  0.738122D+01
                41            42            43            44            45 
      1  -0.125395D+00 -0.235177D+01  0.657047D+01  0.348630D+01  0.120211D+01
      2   0.378934D+01 -0.648091D+01 -0.375072D+01 -0.907030D+01 -0.478796D+01
      3   0.239633D+01 -0.264595D+01  0.381858D+00 -0.351922D+01  0.350496D+01
                46            47            48            49            50 
      1   0.349814D+00 -0.364808D+00 -0.122561D+01 -0.863685D+00 -0.304562D+01
      2   0.103689D+00 -0.626725D+00  0.937177D+01 -0.502477D+01  0.214744D-01
      3  -0.207932D+01 -0.769035D+01  0.447842D+00  0.102642D+02 -0.190623D+01
                51            52            53            54            55 
      1   0.262373D+01 -0.207051D+01  0.106098D+02  0.314034D+01 -0.818347D+00
      2   0.107219D+01  0.739504D+01  0.203000D+01  0.271292D+01  0.337938D+01
      3   0.134894D+01  0.431259D+01  0.697332D+00 -0.239570D+00 -0.739727D+00
                56            57            58            59            60 
      1  -0.997766D+00 -0.817892D+00  0.246679D+01  0.353393D+01  0.372129D+00
      2   0.123522D+01 -0.308835D+01  0.261841D+01 -0.823778D+01 -0.251464D+01
      3   0.609873D+00  0.460510D+00  0.940239D+01  0.689221D+01  0.884800D+01
                61            62            63            64            65 
      1   0.288470D+01  0.375609D+01 -0.195239D+01 -0.260557D+01  0.263691D+01
      2  -0.159197D+02 -0.666642D+01  0.377720D+01  0.247905D+01 -0.117464D+01
      3  -0.831674D-01  0.123990D+02  0.385992D+01  0.165647D+02 -0.798515D+01
                66            67            68            69            70 
      1   0.287691D+01  0.423646D+00 -0.238476D+01 -0.153019D+01 -0.654171D+00
      2   0.101839D+02  0.321741D+00  0.297876D+01  0.196681D+01  0.117038D+01
      3   0.463752D+01  0.177836D+01  0.393410D+01 -0.494603D+01  0.236802D+01
                71            72            73            74            75 
      1   0.700874D+01 -0.722251D+01  0.383341D+01 -0.333090D+01 -0.371793D+00
      2   0.462828D+01 -0.138445D+02 -0.141387D+02 -0.600415D+01  0.116146D+02
      3  -0.219271D+01 -0.493852D+01  0.297113D+00 -0.104419D+02  0.204663D+01
                76            77            78            79            80 
      1  -0.434852D+00 -0.144155D+01 -0.117795D+02 -0.124784D+01 -0.602597D+01
      2  -0.582489D+01  0.142568D+02  0.181204D+01  0.772608D+01  0.321823D+01
      3  -0.291682D+01  0.268187D+01 -0.148068D+02  0.900276D+00 -0.129527D+02
                81            82            83            84            85 
      1  -0.865539D+00  0.213854D+01  0.882818D+00  0.118412D+01 -0.402730D+00
      2   0.372906D+00 -0.452767D+01 -0.262137D+00  0.482903D+01 -0.102788D+01
      3  -0.171220D+01 -0.114314D+02 -0.458965D+01 -0.167011D+01 -0.107501D+01
                86            87            88            89            90 
      1  -0.379977D+00 -0.744543D+00 -0.816690D-01  0.731219D-01  0.795381D-01
      2  -0.694686D+00  0.747286D+00  0.649836D+00  0.533439D-01  0.923643D+00
      3   0.974672D+00  0.103504D+01 -0.188872D+00  0.841357D+00 -0.188136D+00
                91            92            93            94            95 
      1  -0.613599D+00 -0.559578D-01 -0.756805D+00 -0.933351D+00  0.196283D+00
      2   0.120828D+01  0.241485D+00  0.243240D+01 -0.714177D+00  0.423146D+01
      3  -0.368078D+01 -0.251177D+01 -0.291583D+00  0.316887D+01 -0.129482D+02
                96            97            98            99           100 
      1  -0.441023D+01 -0.796997D+00  0.329899D+00 -0.207116D+01  0.155204D+01
      2   0.399988D+01  0.140872D+00  0.337504D+01  0.338972D+01 -0.149447D+01
      3  -0.429837D+01  0.112610D+01 -0.607516D+01 -0.349228D+01  0.232022D+01
               101           102           103           104           105 
      1   0.141982D+01  0.332377D+00  0.542794D+00  0.807263D+01  0.389992D+01
      2  -0.101703D+01 -0.201324D+01 -0.178000D+01 -0.676421D+01 -0.765247D+01
      3   0.113631D+01  0.189931D-01  0.207014D+01  0.927677D+01  0.673331D+01
               106           107           108           109           110 
      1  -0.246125D+00  0.610614D+01  0.456943D+01 -0.174510D+01  0.237930D+01
      2  -0.266288D+01 -0.436346D+01 -0.857866D+01 -0.332090D+01  0.352770D+01
      3  -0.272443D+00  0.554862D+01  0.485164D+01 -0.462774D+01  0.440887D+01
               111           112           113           114           115 
      1   0.525661D+00  0.135600D+01 -0.541735D+01  0.343656D+00  0.315386D+00
      2  -0.353463D+01  0.392308D+01 -0.837296D+01  0.632618D+01 -0.357657D+01
      3  -0.235890D+01  0.563399D+01 -0.118645D+02  0.739585D+01 -0.144069D+01
               116           117           118           119           120 
      1   0.356623D+01 -0.117346D+00 -0.134698D+01 -0.195745D+01 -0.137069D+01
      2   0.493920D+01 -0.663676D+01  0.111634D+02  0.141012D+01  0.632199D+01
      3   0.541275D+01 -0.517645D+01  0.357738D+01 -0.559089D+01  0.601956D-01
               121           122           123           124           125 
      1  -0.176017D+01 -0.509105D+00 -0.625788D-01 -0.959652D+00  0.113407D+01
      2   0.191780D+01 -0.382995D+00  0.926611D+00  0.143788D+01  0.571904D-01
      3  -0.177577D+01 -0.165910D+01  0.184387D+01 -0.133711D+00  0.139489D+01
               126           127           128           129           130 
      1  -0.264656D+00  0.110362D+00  0.294039D+00 -0.155818D+01  0.136519D+00
      2   0.947589D+00 -0.187024D+01 -0.123656D+01  0.840996D-03 -0.170128D+01
      3   0.734197D+00  0.670621D+01  0.365759D+01  0.134798D+01  0.686394D+01
               131           132           133           134           135 
      1   0.817117D+00 -0.395532D+01  0.602508D+00  0.243224D+01 -0.576388D+00
      2  -0.237109D+01  0.350133D-01 -0.214406D+01 -0.887229D+00  0.429900D-02
      3   0.853436D+01  0.258925D+01  0.232339D+01  0.250239D+01  0.592682D+00
               136           137           138           139           140 
      1   0.195652D+00 -0.679530D+00  0.221644D+01  0.300339D+00  0.237624D+00
      2   0.121546D-01  0.580627D-01  0.279852D+01  0.983667D+00 -0.176826D+01
      3   0.161607D+01 -0.493516D+01 -0.300842D+00 -0.337985D+01  0.108581D+02
               141           142           143           144           145 
      1  -0.332120D+01 -0.934343D+00  0.166832D+01 -0.352621D+00 -0.157575D+00
      2  -0.347152D+01 -0.856669D+00  0.294545D+00 -0.520346D+00  0.134199D+01
      3   0.163120D+01 -0.117142D+01  0.269201D+01  0.485251D+00 -0.536819D+00
               146           147           148           149           150 
      1   0.361966D+00 -0.571252D+00 -0.239086D-01 -0.115154D-01 -0.412199D+00
      2  -0.173789D-01  0.608983D+01  0.193046D+01  0.402562D+00  0.889075D+00
      3  -0.535452D+01  0.964866D-01 -0.360879D+01 -0.122884D+01 -0.385467D+00
               151           152           153           154           155 
      1   0.427108D+00  0.629335D+00  0.198447D-01 -0.222264D+00  0.122517D+00
      2  -0.294860D+01 -0.184357D+00  0.314797D+00  0.315560D+00  0.622774D+00
      3  -0.170094D+01 -0.777410D+00 -0.983220D-01 -0.744360D+00 -0.260057D+01
               156           157           158           159           160 
      1  -0.168540D+01 -0.244319D+00  0.480242D+00 -0.432482D+01  0.629311D+00
      2   0.167660D+01  0.625569D+00  0.317016D+01  0.345345D+01 -0.618671D+00
      3  -0.483318D+00 -0.134218D+01 -0.133914D+02 -0.289706D+01 -0.530591D+00
               161           162           163           164           165 
      1   0.217372D+01 -0.590269D+00  0.519227D+00 -0.102852D+01  0.211561D+01
      2   0.285202D+00  0.776591D+00  0.226929D+01 -0.968840D+00  0.490181D+00
      3  -0.359682D+01 -0.887803D+00 -0.988261D+01  0.383483D+01  0.263304D+00
               166           167           168           169           170 
      1  -0.981874D-01  0.710528D-01 -0.312507D+01 -0.150110D+00  0.186146D+01
      2  -0.939717D+00  0.126835D+01 -0.111111D+01 -0.186660D+01  0.514137D+00
      3   0.692641D+01 -0.495521D+01 -0.116589D+01  0.199921D+00 -0.112745D+01
               171           172           173           174           175 
      1  -0.188904D+00  0.386449D+00 -0.627124D+00 -0.279915D+01 -0.131389D+00
      2  -0.311044D+00  0.368506D+01  0.115479D+01 -0.576519D+01  0.426622D-01
      3  -0.175746D+00  0.972418D+00  0.151927D+01 -0.205283D+01  0.877659D+00
               176           177           178           179           180 
      1  -0.410340D+00 -0.291764D+01 -0.552538D+00  0.915692D+00  0.742906D+01
      2   0.107436D+01 -0.533734D+01 -0.389939D+01 -0.566214D+01  0.186041D+02
      3   0.261000D+01 -0.828435D+00 -0.154273D+01 -0.259262D+01  0.746823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.975158D+01 -0.216246D+02 -0.344518D+01  0.208186D+02  0.120767D+02
      2  -0.852613D+01  0.140874D+02  0.632790D+00 -0.187620D+02 -0.155713D+02
      3  -0.122545D+01  0.753719D+01  0.281239D+01 -0.205661D+01  0.349458D+01
      4  -0.157448D+02 -0.655559D+01 -0.374031D+01  0.108290D+02 -0.304828D+01
      5  -0.645852D+01 -0.187362D+01 -0.264832D+01 -0.204495D+00 -0.830181D+01
      6  -0.480478D+01 -0.125368D+01  0.446668D+01 -0.613963D+01 -0.127972D+02
                 6             7             8             9            10 
      1   0.384281D+01  0.509650D+01  0.857736D+00 -0.542043D+01 -0.586217D+00
      2  -0.805588D+01 -0.869600D+01 -0.965324D+01 -0.633012D+01 -0.695490D+00
      3   0.421306D+01  0.359950D+01  0.879550D+01  0.117505D+02  0.128171D+01
      4  -0.774663D+01 -0.369886D+01 -0.112116D+02  0.119203D+02  0.109884D+02
      5   0.113305D+02  0.124649D+02  0.124735D+02  0.102977D+02  0.406992D+01
      6   0.553605D+01  0.474680D+01  0.126846D+02  0.321578D+01  0.237888D+01
                11            12            13            14            15 
      1   0.175571D+02  0.495638D+01 -0.510394D+01  0.127533D+01  0.501547D+01
      2  -0.125564D+02  0.464518D+00  0.126528D+02 -0.398972D+01 -0.363971D+01
      3  -0.500070D+01 -0.542090D+01 -0.754888D+01  0.271439D+01 -0.137576D+01
      4  -0.106595D+02 -0.348791D+00  0.357900D+01  0.138887D+02  0.289204D+01
      5  -0.114011D+01 -0.270926D+01  0.377487D+01  0.267123D+01 -0.524765D-01
      6  -0.932062D+00 -0.670647D+01  0.860548D+01 -0.586528D+01  0.528125D+01
                16            17            18            19            20 
      1  -0.197994D+01  0.572931D+01 -0.134521D+02 -0.208287D+02 -0.247784D+01
      2   0.760469D+01 -0.762242D+01  0.110891D+01  0.639937D+01  0.207840D+01
      3  -0.562475D+01  0.189311D+01  0.123432D+02  0.144294D+02  0.399434D+00
      4   0.276889D+01  0.137353D+01  0.389527D+01  0.476218D+01  0.163708D+01
      5   0.327950D+01  0.240365D+01 -0.220868D+00 -0.865229D+01 -0.126269D+01
      6  -0.264100D+01  0.102874D+02 -0.735654D-02 -0.360401D+01  0.436579D+00
                21            22            23            24            25 
      1  -0.363199D+01  0.206336D+01 -0.962635D+01 -0.181585D+01 -0.530489D+01
      2  -0.252615D+00 -0.403916D+01  0.149619D+02  0.822269D+01 -0.136148D+01
      3   0.388460D+01  0.197580D+01 -0.533559D+01 -0.640684D+01  0.666637D+01
      4  -0.733569D+00 -0.985861D+01 -0.243780D+01  0.141384D+01 -0.599134D+01
      5   0.123845D+00 -0.612936D+01  0.156355D+01  0.657715D-01  0.573990D+01
      6   0.151869D+01 -0.311928D+01  0.656629D+01 -0.166424D+01  0.177174D+00
                26            27            28            29            30 
      1  -0.258818D+01 -0.838790D+01  0.128564D+02 -0.118559D+02 -0.467310D+00
      2   0.464402D+01 -0.257399D+01 -0.881125D+01  0.881892D+01 -0.153070D+01
      3  -0.205584D+01  0.109619D+02 -0.404515D+01  0.303693D+01  0.199801D+01
      4   0.215903D+01  0.167768D+01 -0.807139D+01 -0.177601D+02 -0.369886D+01
      5   0.133494D+01 -0.100764D+01  0.160661D+01 -0.258626D+01 -0.545578D+01
      6   0.736448D+01 -0.325677D+01 -0.221386D+01 -0.195964D+01  0.499695D+01
                31            32            33            34            35 
      1   0.111134D+01  0.872673D+01  0.537337D+01  0.237891D+01  0.447040D+01
      2  -0.894862D+01 -0.116274D+02 -0.853203D+01 -0.489521D+01 -0.116034D+02
      3   0.783728D+01  0.290064D+01  0.315866D+01  0.251631D+01  0.713305D+01
      4   0.113340D+02 -0.126852D+02 -0.211087D+01 -0.710566D+00 -0.295290D+01
      5  -0.519892D+00 -0.255222D+01 -0.110770D+01  0.348624D+01 -0.563212D+01
      6  -0.610587D+01 -0.111680D+02  0.387456D+01  0.127794D+01  0.114846D+02
                36            37            38            39            40 
      1  -0.150401D+02 -0.140779D+01  0.242141D+02  0.652432D+01 -0.267254D+02
      2  -0.162034D+01 -0.196851D+01 -0.151217D+02  0.586460D+00  0.260903D+02
      3   0.166604D+02  0.337630D+01 -0.909238D+01 -0.711078D+01  0.635142D+00
      4  -0.719590D+01  0.173320D+02  0.286327D+01  0.218703D+01  0.223513D+01
      5  -0.504929D+01  0.425319D+00  0.324128D+00  0.584952D+01 -0.555598D+01
      6   0.427093D+01  0.702939D+00 -0.135783D+01 -0.750245D+01  0.861552D+01
                41            42            43            44            45 
      1   0.441736D+01  0.157767D+01 -0.844732D+01  0.422784D+01  0.220368D+01
      2  -0.779516D+01 -0.196408D+01  0.110785D+02 -0.872038D+01 -0.914583D+01
      3   0.337779D+01  0.386414D+00 -0.263117D+01  0.449254D+01  0.694214D+01
      4   0.963366D+01  0.109169D+02 -0.224364D+01  0.989859D+01 -0.123517D+02
      5   0.933141D+01 -0.131458D+02  0.189735D+02 -0.130401D+02 -0.101456D+02
      6  -0.789873D+01  0.478358D+01 -0.524665D+01  0.111324D+02 -0.466634D+00
                46            47            48            49            50 
      1  -0.154746D+02 -0.396171D+01 -0.580761D+01  0.971589D+01 -0.204934D+02
      2   0.901991D+01  0.291235D+01  0.195844D+01 -0.856629D+01  0.185000D+02
      3   0.645472D+01  0.104936D+01  0.384917D+01 -0.114960D+01  0.199334D+01
      4  -0.249065D+01  0.231671D+02 -0.971246D-01 -0.191579D+02 -0.389853D+01
      5  -0.468468D+01 -0.414549D+00  0.210052D+02 -0.143465D+02 -0.139197D+01
      6   0.592366D+00  0.113750D+00  0.255259D+01 -0.345260D+01  0.524627D+01
                51            52            53            54            55 
      1  -0.882047D+01 -0.338781D+01 -0.897196D+01  0.119449D+02  0.124254D+02
      2   0.118753D+02 -0.786174D+00  0.641838D+01 -0.151704D+02 -0.393967D+01
      3  -0.305483D+01  0.417398D+01  0.255358D+01  0.322550D+01 -0.848576D+01
      4  -0.427364D+01 -0.145097D+02 -0.140553D+01  0.149248D+01  0.218238D+01
      5   0.217020D+01  0.343744D+02  0.278255D+01  0.565800D+01  0.703339D+01
      6  -0.405911D+01  0.106432D+01  0.719015D+01 -0.447508D+01  0.215820D+01
                56            57            58            59            60 
      1   0.100238D+01 -0.159472D+01  0.107865D+02  0.522671D+01  0.763385D+01
      2   0.273589D+01 -0.175763D+01 -0.702483D+01 -0.116814D+02 -0.157061D+02
      3  -0.373827D+01  0.335235D+01 -0.376164D+01  0.645465D+01  0.807225D+01
      4  -0.114388D+02  0.347136D+01 -0.136777D+02 -0.228957D+02 -0.190918D+02
      5   0.350823D+01 -0.162312D+02  0.153821D+02 -0.168058D+02 -0.323994D+01
      6  -0.576591D+00 -0.864373D+00 -0.564134D+01 -0.128800D+02 -0.689400D+01
                61            62            63            64            65 
      1   0.567967D+01  0.695080D+01 -0.562316D+01 -0.361528D+02 -0.203276D+00
      2  -0.112938D+02 -0.388172D+01  0.694596D+01  0.247033D+02 -0.512341D+01
      3   0.561411D+01 -0.306908D+01 -0.132280D+01  0.114496D+02  0.532669D+01
      4   0.142937D+02 -0.195046D+02 -0.137788D+02 -0.268007D+01  0.144959D+02
      5  -0.295296D+02 -0.131499D+02  0.101902D+02 -0.164225D+02 -0.121198D+01
      6  -0.782642D+01 -0.105114D+02  0.279334D+01 -0.140379D+01  0.142774D+01
                66            67            68            69            70 
      1  -0.102337D+02 -0.109556D+02 -0.314852D+01 -0.324023D+01 -0.942280D+01
      2   0.714424D+00  0.263063D+01  0.132491D+02 -0.219828D+01  0.217540D+01
      3   0.951931D+01  0.832494D+01 -0.101006D+02  0.543852D+01  0.724741D+01
      4   0.104658D+01  0.185581D+02 -0.966821D+01  0.122900D+02 -0.133419D+01
      5   0.128020D+02 -0.100230D+02  0.112483D+02  0.687875D+00  0.115826D+02
      6  -0.381044D+01  0.614125D+01 -0.438137D+01  0.695531D+01 -0.204728D+01
                71            72            73            74            75 
      1   0.275731D+00  0.158670D+02 -0.599957D+02 -0.172215D+02  0.101542D+02
      2  -0.868437D+01  0.252324D+00  0.243070D+02  0.102334D+02 -0.960470D+00
      3   0.840864D+01 -0.161193D+02  0.356887D+02  0.698809D+01 -0.919372D+01
      4   0.471205D+01  0.136353D+01 -0.224177D+02  0.815434D+01 -0.328961D+01
      5   0.389869D+01 -0.157136D+02  0.143741D+02 -0.222366D+00  0.135823D+02
      6   0.503810D+01  0.829412D+01  0.414648D+01 -0.755563D+01  0.468733D+01
                76            77            78            79            80 
      1  -0.176289D+02  0.199756D+02 -0.484685D+01 -0.104078D+00 -0.644628D+01
      2   0.940462D+01 -0.513403D+01  0.134317D+02  0.918709D+01  0.121218D+02
      3   0.822431D+01 -0.148416D+02 -0.858484D+01 -0.908301D+01 -0.567549D+01
      4   0.722805D+01  0.279883D+01  0.186045D+02 -0.936357D+01  0.135903D+02
      5  -0.320188D+01  0.136941D+02  0.851921D+01  0.252429D+02  0.115370D+02
      6  -0.438074D+01  0.432078D+01 -0.132193D+02  0.891869D+01 -0.865419D+01
                81            82            83            84            85 
      1   0.128984D+02  0.726140D+02 -0.266278D+01  0.102405D+02  0.468421D+01
      2  -0.124749D+02 -0.427749D+02  0.114430D+01 -0.900700D+01 -0.174899D+01
      3  -0.423504D+00 -0.298391D+02  0.151848D+01 -0.123350D+01 -0.293522D+01
      4   0.119458D+02 -0.136509D+02  0.681691D+01 -0.381366D+01  0.495158D+01
      5  -0.145909D+02  0.292746D+02 -0.296602D+01  0.139865D+02 -0.553623D+00
      6  -0.575227D+01 -0.215430D+01  0.197203D+01 -0.233587D+01  0.166894D+01
                86            87            88            89            90 
      1   0.224823D+01 -0.170920D+01  0.411032D+01 -0.132995D+01  0.376302D+01
      2   0.417959D+00  0.150070D+01 -0.301186D+01  0.113460D+01 -0.379303D+01
      3  -0.266619D+01  0.208507D+00 -0.109846D+01  0.195357D+00  0.300007D-01
      4  -0.171289D+01 -0.125938D+00 -0.257138D+01 -0.382839D+00 -0.134446D+01
      5  -0.120902D+00 -0.505290D+00  0.947572D+01 -0.151603D+01  0.487849D+01
      6  -0.967990D-01  0.109703D+01 -0.133148D+01  0.901131D+00 -0.899249D+00
                91            92            93            94            95 
      1   0.109034D+01  0.254078D+01  0.210755D+01  0.694811D+00 -0.130620D+02
      2   0.191658D+01 -0.117657D+00 -0.823585D-01  0.212660D+01  0.210841D+02
      3  -0.300692D+01 -0.242312D+01 -0.202520D+01 -0.282141D+01 -0.802205D+01
      4   0.777519D+01  0.119707D+02  0.325251D+01  0.111498D+02  0.305144D+02
      5   0.320057D+01  0.319265D+01  0.723135D+01  0.316721D+01  0.888962D+01
      6   0.449616D+01  0.208655D+01  0.118210D+01  0.315262D+01  0.167282D+02
                96            97            98            99           100 
      1  -0.518671D+01  0.601441D+00 -0.675328D+01 -0.536508D+01  0.427088D+01
      2   0.729990D+01  0.106488D+01  0.515668D+01  0.166261D+01 -0.303707D+01
      3  -0.211319D+01 -0.166632D+01  0.159661D+01  0.370246D+01 -0.123381D+01
      4   0.983659D+01  0.279486D+01  0.136563D+02  0.967684D+01 -0.872490D+00
      5   0.916582D+01  0.823199D+01  0.876455D+01  0.775064D+01 -0.284756D+01
      6   0.105649D+02  0.322790D+01  0.131277D+02  0.953243D+01  0.215030D+01
               101           102           103           104           105 
      1  -0.160596D+01 -0.539987D+01 -0.522160D+01 -0.812188D+01 -0.578713D+01
      2   0.652719D+00  0.516792D+00  0.370041D+01 -0.854942D-02 -0.666978D+01
      3   0.953244D+00  0.488307D+01  0.152118D+01  0.813043D+01  0.124569D+02
      4  -0.448069D+00  0.433867D+00  0.179890D+01 -0.162800D+02 -0.111661D+02
      5   0.184630D+01  0.153514D+00  0.736852D+01 -0.920670D+01 -0.145866D+02
      6   0.175497D+01 -0.152323D+00 -0.748502D-01  0.119414D+02  0.100053D+02
               106           107           108           109           110 
      1  -0.379467D+01 -0.411496D+01 -0.111467D+02 -0.133547D+01  0.982617D+01
      2   0.253310D+01 -0.543442D+01 -0.727357D+01  0.198254D+01 -0.672852D+01
      3   0.126157D+01  0.954938D+01  0.184202D+02 -0.647069D+00 -0.309766D+01
      4   0.112435D+01 -0.949656D+01 -0.864344D+01  0.218891D+01 -0.236637D+01
      5   0.430547D+01 -0.731409D+01 -0.142137D+02  0.375956D+00 -0.463775D+00
      6  -0.780727D+00  0.937375D+01  0.786886D+01 -0.398854D+01  0.638138D+01
               111           112           113           114           115 
      1  -0.813427D+01  0.985398D+01 -0.205687D+02  0.127447D+02 -0.388341D+01
      2   0.187084D+01 -0.580939D+01  0.175643D+02 -0.579096D+01  0.616442D+00
      3   0.626343D+01 -0.404459D+01  0.300442D+01 -0.695376D+01  0.326696D+01
      4   0.142069D+01  0.244219D+01  0.163560D+02 -0.105731D+02  0.815906D-01
      5  -0.247556D+01 -0.431742D+01 -0.769181D+01  0.772099D+01  0.169416D+01
      6  -0.530518D+01  0.226391D+01 -0.188115D+02  0.151095D+02 -0.232823D+01
               116           117           118           119           120 
      1   0.103204D+02 -0.143357D+02  0.869243D+02  0.112067D+02 -0.615450D+01
      2  -0.387237D+01  0.176872D+01 -0.431895D+02 -0.371175D+01  0.686648D+01
      3  -0.644803D+01  0.125670D+02 -0.437348D+02 -0.749495D+01 -0.711973D+00
      4  -0.749369D+01  0.547847D+01  0.262605D+02  0.143972D+02 -0.328341D+01
      5   0.476575D+01 -0.689912D+01 -0.303759D+02 -0.501893D+01  0.151126D+02
      6   0.130966D+02 -0.116681D+02 -0.511146D+01 -0.344757D+01  0.282943D+01
               121           122           123           124           125 
      1   0.966954D+01  0.607520D+01  0.377555D+00  0.432488D+01  0.964904D+00
      2  -0.252272D+01 -0.179063D+01 -0.485890D+00  0.753718D+00 -0.342498D+00
      3  -0.714682D+01 -0.428457D+01  0.108335D+00 -0.507860D+01 -0.622406D+00
      4   0.154891D+02  0.723754D+01 -0.347244D+01  0.162716D+01 -0.547321D+00
      5  -0.366072D+01 -0.458053D+01  0.182924D+01  0.956112D+01  0.833683D+00
      6  -0.290857D+01 -0.206211D+01  0.339241D+01  0.186198D+01  0.229428D+01
               126           127           128           129           130 
      1   0.563559D+01 -0.530127D+01 -0.863383D+01 -0.295737D+01 -0.781189D+01
      2  -0.388568D+01  0.649415D+01  0.998899D+01  0.198464D+01  0.932435D+01
      3  -0.174991D+01 -0.119288D+01 -0.135516D+01  0.972723D+00 -0.151246D+01
      4   0.168911D+01  0.347803D+01  0.686779D+01  0.144963D+01  0.500340D+01
      5  -0.169072D+01  0.112161D+01  0.133671D+01  0.161894D+01  0.104232D+01
      6  -0.106623D+00  0.265970D+01  0.376645D+01  0.278087D+01  0.331711D+01
               131           132           133           134           135 
      1  -0.319221D+02 -0.891269D+01 -0.253269D+01 -0.889831D+01 -0.389467D+01
      2   0.409058D+02  0.809693D+01  0.284921D+01  0.103512D+02  0.414894D+01
      3  -0.898373D+01  0.815754D+00 -0.316515D+00 -0.145287D+01 -0.254270D+00
      4  -0.941034D+00 -0.712246D+00  0.142883D+01 -0.204922D+00  0.134688D+01
      5  -0.703594D+00 -0.305543D-05  0.906186D+00  0.480180D+00  0.680684D+00
      6   0.136874D+02  0.915068D+01  0.119618D+01  0.560512D+01  0.396908D+01
               136           137           138           139           140 
      1   0.216264D+02 -0.134357D+02 -0.279169D+01 -0.881703D+01  0.313952D+01
      2  -0.374275D+01 -0.125390D+01  0.952192D+00 -0.634307D+01  0.166828D+02
      3  -0.178836D+02  0.146896D+02  0.183950D+01  0.151601D+02 -0.198223D+02
      4  -0.329348D+02  0.303150D+02  0.483582D+01  0.335091D+02 -0.434635D+02
      5  -0.687446D+01  0.498292D+01  0.623300D+01  0.725226D+01 -0.848802D+01
      6   0.273413D+01 -0.231108D+01 -0.325114D+01 -0.459918D+01  0.650494D+01
               141           142           143           144           145 
      1   0.747444D+00 -0.116591D+01  0.379602D-01  0.247422D-01  0.101751D+03
      2   0.102463D+01 -0.134353D+01  0.320292D+01  0.122584D+01 -0.569859D+02
      3  -0.177207D+01  0.250943D+01 -0.324088D+01 -0.125058D+01 -0.447652D+02
      4  -0.797980D+01  0.665589D+01 -0.849358D+01 -0.373041D+01  0.132363D+02
      5  -0.631658D+01  0.289545D+01 -0.303901D+01 -0.180742D+01  0.997979D+01
      6   0.614344D+01 -0.217875D+01  0.296951D+01  0.214799D+01 -0.222753D+01
               146           147           148           149           150 
      1   0.866959D+01  0.663194D+01  0.681919D+01  0.939731D+01  0.203694D+01
      2  -0.426352D+01 -0.444223D+01 -0.298114D+01 -0.422386D+01 -0.163966D+01
      3  -0.440606D+01 -0.218971D+01 -0.383805D+01 -0.517345D+01 -0.397284D+00
      4   0.954118D+01  0.677745D+00  0.152962D+02  0.401621D+01  0.138442D+01
      5   0.646823D+00  0.102362D+02  0.414178D+01  0.152674D+01  0.144960D+01
      6   0.241181D+00  0.493151D+00  0.814671D+00 -0.169266D-01  0.141752D+01
               151           152           153           154           155 
      1   0.758848D+01  0.221965D+01  0.359152D+01  0.554446D+01  0.451617D+01
      2  -0.409384D+01 -0.114073D+01 -0.207021D+01  0.319671D+01  0.507357D+01
      3  -0.349464D+01 -0.107892D+01 -0.152131D+01 -0.874117D+01 -0.958974D+01
      4   0.431781D+01  0.154326D+01  0.838136D+00  0.187453D+02  0.232921D+02
      5   0.270122D+01  0.495184D+00  0.124395D+01  0.488844D+01  0.555699D+01
      6   0.145174D+00  0.437796D+00  0.411410D+00  0.370677D+01  0.427604D+01
               156           157           158           159           160 
      1   0.108223D+01 -0.112414D+01 -0.156870D+02 -0.391577D+01  0.918606D-01
      2   0.374861D+00  0.112998D+02  0.365411D+02  0.593239D+01  0.232228D+01
      3  -0.145709D+01 -0.101756D+02 -0.208541D+02 -0.201662D+01 -0.241414D+01
      4   0.567974D+01  0.243489D+02  0.462466D+02  0.107908D+02  0.696010D+01
      5   0.495259D+01  0.593999D+01  0.104548D+02  0.668295D+01  0.271518D+01
      6   0.310549D+01  0.593850D+01  0.141399D+02  0.948248D+01  0.271709D+01
               161           162           163           164           165 
      1  -0.337843D+01 -0.205795D+01 -0.441219D+01  0.660900D+01  0.999767D+00
      2   0.798892D+01  0.325023D+01  0.604585D+01 -0.915279D+01 -0.732890D+00
      3  -0.461049D+01 -0.119228D+01 -0.163366D+01  0.254379D+01 -0.266877D+00
      4   0.127672D+02  0.473871D+01 -0.835766D+01  0.713638D+01  0.759131D+00
      5   0.390824D+01  0.270857D+01 -0.549197D+00  0.616453D+00  0.141376D+01
      6   0.561961D+01  0.397357D+01  0.899322D+00 -0.163862D+01 -0.238730D+01
               166           167           168           169           170 
      1   0.804473D+01 -0.196512D+02 -0.378660D+01  0.144025D+01 -0.391727D+01
      2  -0.106048D+02  0.262255D+02  0.312652D+01 -0.187919D+01  0.452739D+01
      3   0.256012D+01 -0.657430D+01  0.660075D+00  0.438943D+00 -0.610121D+00
      4   0.770980D+01 -0.800857D+01 -0.964312D+00  0.118287D+01 -0.128940D+01
      5   0.972266D+00 -0.115123D+01 -0.141935D+01  0.112480D+01 -0.818650D+00
      6  -0.260842D+01  0.518497D+01  0.514974D+01 -0.121340D+01  0.265294D+01
               171           172           173           174           175 
      1  -0.121272D+01 -0.286040D+01 -0.215346D+01  0.950661D+01 -0.102634D+01
      2   0.181834D+01 -0.643990D+00  0.150952D+00  0.105083D+01  0.427002D+00
      3  -0.605614D+00  0.350439D+01  0.200251D+01 -0.105574D+02  0.599339D+00
      4  -0.212864D+01  0.500302D+00 -0.207044D+01 -0.362650D+00  0.260661D+01
      5  -0.114228D+01  0.170363D+01  0.995216D+00 -0.501143D+01 -0.528476D+00
      6   0.161508D+01 -0.111697D+01 -0.142398D+01  0.370226D+01 -0.298576D+00
               176           177           178           179           180 
      1  -0.318171D+01  0.477426D+01  0.791857D+01  0.644650D+01 -0.231722D+02
      2   0.149756D+01  0.196646D+01 -0.361685D+01  0.151233D+01 -0.110236D+02
      3   0.168415D+01 -0.674071D+01 -0.430172D+01 -0.795883D+01  0.341958D+02
      4  -0.542330D+01  0.127672D+01 -0.281278D+01  0.328272D+01 -0.688988D+01
      5   0.161484D+01 -0.924835D+01  0.614905D+01 -0.893904D+01  0.302619D+02
      6  -0.249611D+01  0.766261D+01  0.489757D+00  0.726167D+01 -0.156144D+02
 Leave Link  716 at Thu Aug 12 21:41:05 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135375D+03  0.229055D+00  0.118894D+01
      2   0.229055D+00  0.109356D+03  0.584612D+01
      3   0.118894D+01  0.584612D+01  0.797698D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.162459D+01  0.194647D+01  0.562082D+00
      2   0.376060D+01  0.138655D+02 -0.114012D+02
      3  -0.381724D+01 -0.317167D+02 -0.128380D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676797D+02  0.530402D+01  0.312733D+01
      2  -0.194955D+02 -0.650866D+01 -0.789177D+01
      3  -0.481842D+02  0.120465D+01  0.476444D+01
      4  -0.601935D+01  0.621262D+02  0.340677D+02
      5   0.199878D+02  0.352002D+02 -0.314414D+02
      6   0.140506D+02  0.495336D+01 -0.420186D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.381035D+01 -0.574092D+00 -0.143942D+00  0.499940D+01  0.192677D+00
      2  -0.574092D+00  0.233040D+01 -0.323633D+00  0.192677D+00  0.113289D+01
      3  -0.143942D+00 -0.323633D+00  0.893875D+00 -0.504578D+00 -0.128031D+01
                 6             7             8             9            10 
      1  -0.504578D+00  0.773018D+00 -0.922384D+00  0.190085D+01  0.359921D+01
      2  -0.128031D+01 -0.922384D+00 -0.157133D+01  0.338885D+01 -0.656568D+00
      3   0.217963D+01  0.190085D+01  0.338885D+01  0.285050D+01  0.128522D+00
                11            12            13            14            15 
      1  -0.656568D+00  0.128522D+00  0.786331D+01  0.382904D-01  0.239517D+00
      2  -0.338812D+01 -0.537294D+00  0.382904D-01  0.176876D+01 -0.813273D+00
      3  -0.537294D+00 -0.209952D+01  0.239517D+00 -0.813273D+00  0.168740D+01
                16            17            18            19            20 
      1   0.254313D+01  0.207377D-01 -0.179499D+01 -0.166695D+02 -0.213821D+01
      2   0.207377D-01 -0.153779D+01  0.285557D+01 -0.213821D+01 -0.238271D+01
      3  -0.179499D+01  0.285557D+01  0.136905D+01  0.396085D+00  0.210683D+00
                21            22            23            24            25 
      1   0.396085D+00 -0.286748D+01  0.112827D+01  0.141870D+01 -0.739853D+00
      2   0.210683D+00  0.112827D+01 -0.426889D+00 -0.345827D+00  0.129106D+01
      3  -0.241843D+01  0.141870D+01 -0.345827D+00 -0.378798D-02 -0.377279D+01
                26            27            28            29            30 
      1   0.129106D+01 -0.377279D+01  0.483473D+01  0.246760D+01  0.734783D+00
      2  -0.659296D+00 -0.592668D+00  0.246760D+01 -0.239638D+01 -0.135224D+00
      3  -0.592668D+00 -0.765658D+00  0.734783D+00 -0.135224D+00 -0.134636D+01
                31            32            33            34            35 
      1  -0.668477D+01 -0.500288D+00  0.305829D+00 -0.856959D+00  0.105255D+01
      2  -0.500288D+00 -0.183950D+01  0.120610D+01  0.105255D+01  0.129446D+01
      3   0.305829D+00  0.120610D+01 -0.179987D+01 -0.833484D+00 -0.307680D+01
                36            37            38            39            40 
      1  -0.833484D+00 -0.227943D+01 -0.677703D+00 -0.391073D+00 -0.548123D+01
      2  -0.307680D+01 -0.677703D+00  0.264939D+01  0.790118D+00 -0.807887D+00
      3  -0.306316D+01 -0.391073D+00  0.790118D+00  0.212290D+01 -0.987282D+00
                41            42            43            44            45 
      1  -0.807887D+00 -0.987282D+00 -0.154126D+01 -0.824566D+00  0.289626D+01
      2  -0.990424D+00  0.149022D+01 -0.824566D+00  0.192514D+01 -0.287923D+01
      3   0.149022D+01 -0.199649D+01  0.289626D+01 -0.287923D+01 -0.170266D+01
                46            47            48            49            50 
      1   0.538948D+01  0.369562D+00 -0.520555D+00  0.972823D+00 -0.324609D+00
      2   0.369562D+00  0.333338D+01 -0.248613D-01 -0.324609D+00  0.210190D+00
      3  -0.520555D+00 -0.248613D-01  0.332451D+01 -0.141587D+01 -0.684866D+00
                51            52            53            54            55 
      1  -0.141587D+01 -0.103478D+00 -0.137429D+01  0.517741D+01  0.321622D+01
      2  -0.684866D+00 -0.137429D+01  0.773611D-01  0.382290D+00  0.414617D+00
      3   0.496708D-01  0.517741D+01  0.382290D+00  0.104534D+01 -0.131265D+01
                56            57            58            59            60 
      1   0.414617D+00 -0.131265D+01  0.296862D+00  0.238842D+01 -0.226355D+01
      2   0.111425D+01 -0.119037D+01  0.238842D+01  0.536433D+01  0.397128D+01
      3  -0.119037D+01  0.267624D+01 -0.226355D+01  0.397128D+01  0.119293D+01
                61            62            63            64            65 
      1  -0.560351D+01 -0.198179D+01  0.496839D+01  0.688319D+01  0.150975D+01
      2  -0.198179D+01  0.347771D+01  0.283099D+01  0.150975D+01 -0.938159D+00
      3   0.496839D+01  0.283099D+01 -0.233959D+01  0.124677D+01  0.612713D+00
                66            67            68            69            70 
      1   0.124677D+01  0.352325D+01 -0.200999D+01  0.139943D+01  0.147840D+01
      2   0.612713D+00 -0.200999D+01  0.100856D+01 -0.205951D+01  0.460623D+00
      3  -0.192724D+01  0.139943D+01 -0.205951D+01 -0.558339D+00 -0.190686D+01
                71            72            73            74            75 
      1   0.460623D+00 -0.190686D+01  0.957276D+01  0.212177D+01  0.915458D-01
      2  -0.501944D+00 -0.115752D+01  0.212177D+01 -0.217414D+01  0.117371D+01
      3  -0.115752D+01  0.499438D+01  0.915458D-01  0.117371D+01 -0.308054D+01
                76            77            78            79            80 
      1   0.168838D+01 -0.192290D+01  0.152663D+01  0.571867D+01  0.189252D+01
      2  -0.192290D+01  0.275047D+00 -0.435988D+01  0.189252D+01 -0.286563D+01
      3   0.152663D+01 -0.435988D+01 -0.122048D+01 -0.442293D+01 -0.180786D+01
                81            82            83            84            85 
      1  -0.442293D+01 -0.124156D+02  0.794899D+00 -0.238678D+01 -0.284115D+00
      2  -0.180786D+01  0.794899D+00 -0.814197D+00  0.432367D+00 -0.472395D+00
      3   0.188645D+01 -0.238678D+01  0.432367D+00 -0.164462D+01  0.144281D+00
                86            87            88            89            90 
      1  -0.472395D+00  0.144281D+00 -0.482837D+00  0.238070D+00 -0.905778D+00
      2   0.557173D+00  0.142188D+00  0.238070D+00  0.452451D+00  0.215613D+00
      3   0.142188D+00  0.379802D-01 -0.905778D+00  0.215613D+00 -0.535207D+00
                91            92            93            94            95 
      1   0.657180D-01 -0.138064D+01 -0.584619D+00 -0.259988D+01 -0.151647D+01
      2  -0.138064D+01 -0.126435D+01 -0.305251D+00 -0.151647D+01 -0.683028D+01
      3  -0.584619D+00 -0.305251D+00 -0.873182D+00 -0.440993D+00 -0.224856D+01
                96            97            98            99           100 
      1  -0.440993D+00 -0.575375D+00 -0.310405D+00 -0.122430D+01 -0.617747D+00
      2  -0.224856D+01 -0.310405D+00 -0.297256D+01 -0.220152D+01  0.537283D+00
      3  -0.215474D+01 -0.122430D+01 -0.220152D+01 -0.193872D+01  0.473275D+00
               101           102           103           104           105 
      1   0.537283D+00  0.473275D+00  0.164779D+01  0.245198D-01 -0.729842D+00
      2   0.420387D+00  0.527597D-02  0.245198D-01  0.323339D+01  0.229207D+01
      3   0.527597D-02  0.770992D+00 -0.729842D+00  0.229207D+01  0.324719D+01
               106           107           108           109           110 
      1   0.735631D+00 -0.249671D+00 -0.510666D-01  0.289051D+00 -0.110724D+01
      2  -0.249671D+00  0.193095D+01  0.170961D+01 -0.110724D+01  0.143772D+01
      3  -0.510666D-01  0.170961D+01  0.360051D+01  0.544811D+00 -0.941362D+00
               111           112           113           114           115 
      1   0.544811D+00 -0.167423D+01  0.560735D+00 -0.203755D+00  0.253957D+00
      2  -0.941362D+00  0.560735D+00 -0.461689D+01  0.284263D+01 -0.370051D+00
      3   0.158436D+01 -0.203755D+00  0.284263D+01 -0.254944D+01  0.550843D+00
               116           117           118           119           120 
      1  -0.370051D+00  0.550843D+00 -0.140788D+02 -0.218765D+01  0.179649D+01
      2   0.202162D+01 -0.178463D+01 -0.218765D+01 -0.122555D+01  0.349820D+00
      3  -0.178463D+01  0.263118D+01  0.179649D+01  0.349820D+00 -0.152785D+01
               121           122           123           124           125 
      1  -0.199798D+01 -0.157979D+01  0.161613D+00 -0.960723D+00 -0.229806D+00
      2  -0.157979D+01 -0.862800D+00  0.641756D+00 -0.229806D+00  0.845827D-01
      3   0.161613D+00  0.641756D+00 -0.223186D+00 -0.909479D+00 -0.731238D-01
               126           127           128           129           130 
      1  -0.909479D+00 -0.167126D+01 -0.174542D+01 -0.549810D+00 -0.149877D+01
      2  -0.731238D-01 -0.174542D+01 -0.205736D+01 -0.616241D+00 -0.203338D+01
      3  -0.569897D-01 -0.549810D+00 -0.616241D+00 -0.408678D+00 -0.546769D+00
               131           132           133           134           135 
      1  -0.203338D+01 -0.546769D+00 -0.673511D+00 -0.763343D+00 -0.148824D+00
      2  -0.798498D+01 -0.208831D+01 -0.763343D+00 -0.228532D+01 -0.713573D+00
      3  -0.208831D+01 -0.133868D+01 -0.148824D+00 -0.713573D+00 -0.430300D+00
               136           137           138           139           140 
      1   0.490205D+01 -0.384186D+01 -0.735751D+00 -0.368496D+01  0.441009D+01
      2  -0.384186D+01  0.351621D+01  0.554265D+00  0.441009D+01 -0.646118D+01
      3  -0.735751D+00  0.554265D+00  0.621483D+00  0.962525D+00 -0.123500D+01
               141           142           143           144           145 
      1   0.962525D+00 -0.730163D+00  0.863679D+00  0.242165D+00  0.134934D+02
      2  -0.123500D+01  0.863679D+00 -0.151235D+01 -0.353963D+00  0.122890D+01
      3  -0.944572D+00  0.242165D+00 -0.353963D+00 -0.226272D+00  0.103298D+01
               146           147           148           149           150 
      1   0.122890D+01  0.103298D+01  0.109913D+01  0.161766D+01  0.507056D+00
      2   0.858769D+00  0.741585D-01  0.161766D+01  0.444085D+00  0.153288D+00
      3   0.741585D-01  0.920454D+00  0.507056D+00  0.153288D+00  0.145043D+00
               151           152           153           154           155 
      1   0.101516D+01  0.481468D+00  0.465334D-01  0.231690D+01  0.263765D+01
      2   0.481468D+00  0.113291D+00  0.229245D-01  0.263765D+01  0.281904D+01
      3   0.465334D-01  0.229245D-01  0.105966D+00  0.753605D+00  0.744346D+00
               156           157           158           159           160 
      1   0.753605D+00  0.228902D+01  0.377407D+01  0.992251D+00  0.792685D+00
      2   0.744346D+00  0.377407D+01  0.917055D+01  0.220921D+01  0.116260D+01
      3   0.537977D+00  0.992251D+00  0.220921D+01  0.136479D+01  0.345202D+00
               161           162           163           164           165 
      1   0.116260D+01  0.345202D+00 -0.355834D+01  0.219233D+01  0.192588D+00
      2   0.247013D+01  0.661985D+00  0.219233D+01 -0.242915D+01 -0.256177D+00
      3   0.661985D+00  0.395604D+00  0.192588D+00 -0.256177D+00 -0.436359D+00
               166           167           168           169           170 
      1   0.242475D+01 -0.271938D+01 -0.504652D+00  0.258375D+00 -0.499554D+00
      2  -0.271938D+01  0.555086D+01  0.887387D+00 -0.499554D+00  0.117010D+01
      3  -0.504652D+00  0.887387D+00  0.862881D+00 -0.967043D-01  0.316933D+00
               171           172           173           174           175 
      1  -0.967043D-01  0.538412D+00  0.350173D-01 -0.766259D+00 -0.312883D-01
      2   0.316933D+00  0.350173D-01  0.590561D+00 -0.617049D+00 -0.247636D+00
      3   0.251628D+00 -0.766259D+00 -0.617049D+00  0.230998D+01 -0.605479D-01
               176           177           178           179           180 
      1  -0.247636D+00 -0.605479D-01 -0.130137D+01  0.625576D-01 -0.604448D-01
      2   0.129710D+01 -0.720607D+00  0.625576D-01 -0.111158D+01  0.225612D+01
      3  -0.720607D+00  0.202206D+01 -0.604448D-01  0.225612D+01 -0.807206D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.476672D-02  0.105592D+01 -0.239501D+01  0.163175D+01  0.251976D+00
      2  -0.732756D+00  0.286885D+01  0.460652D+00  0.115376D+01 -0.368948D+01
      3   0.221203D+01 -0.123121D+02 -0.253430D+01  0.405665D+01 -0.117056D+01
                 6             7             8             9            10 
      1  -0.371988D+01 -0.476427D+01  0.989491D+00 -0.139114D+01 -0.300112D+00
      2   0.564998D+01 -0.808692D+01  0.810081D+01  0.487687D+01  0.154757D+01
      3   0.216170D+01 -0.301083D+00  0.305721D+01 -0.403370D+01  0.112506D+01
                11            12            13            14            15 
      1  -0.403835D+00  0.321092D+01 -0.831105D+00  0.669002D-01 -0.255071D+01
      2   0.518964D+00 -0.175215D+01  0.408121D+01  0.705145D+00  0.760268D+00
      3   0.547213D+00  0.974614D+00  0.355665D+01 -0.630268D+01  0.101260D+01
                16            17            18            19            20 
      1   0.641439D+01  0.320188D+01  0.252131D+00 -0.103532D+01 -0.214856D+00
      2  -0.118012D+02 -0.251509D-01  0.448534D+00 -0.372768D+01 -0.112093D+01
      3  -0.124894D+01  0.199796D+00 -0.574048D+01  0.550056D+00  0.686551D+01
                21            22            23            24            25 
      1   0.862853D-02 -0.122214D+01 -0.383495D+01  0.123630D+01 -0.359465D+00
      2  -0.169687D+01 -0.994203D+00  0.929447D+00  0.395922D+00 -0.147681D+02
      3   0.981443D+00  0.156936D+02  0.164930D+01 -0.195032D+01 -0.363967D+00
                26            27            28            29            30 
      1   0.945697D+01  0.279203D+01  0.145756D+00  0.169345D+01 -0.237720D+01
      2   0.415195D+00 -0.213846D+00  0.394116D+01  0.193361D+01 -0.141672D+01
      3  -0.815618D+00  0.245327D+00 -0.553101D+01 -0.327443D+01 -0.259991D+01
                31            32            33            34            35 
      1   0.103664D+01  0.913469D+00 -0.315549D+01 -0.490614D+01  0.129028D+01
      2   0.150989D+01 -0.546383D+00 -0.146671D+01 -0.133243D+02 -0.117274D+01
      3   0.412874D+01  0.573964D+01 -0.789576D-01 -0.263360D+01 -0.109557D+01
                36            37            38            39            40 
      1  -0.971433D+00 -0.391152D+00 -0.118600D+01  0.345831D+01 -0.154182D+01
      2  -0.285252D+01 -0.104100D+01  0.177617D+01  0.288228D+01 -0.110132D+01
      3   0.494101D+01  0.319240D+01 -0.995678D+01 -0.196386D+01  0.738122D+01
                41            42            43            44            45 
      1  -0.125395D+00 -0.235177D+01  0.657047D+01  0.348630D+01  0.120211D+01
      2   0.378934D+01 -0.648091D+01 -0.375072D+01 -0.907030D+01 -0.478796D+01
      3   0.239633D+01 -0.264595D+01  0.381858D+00 -0.351922D+01  0.350496D+01
                46            47            48            49            50 
      1   0.349814D+00 -0.364808D+00 -0.122561D+01 -0.863685D+00 -0.304562D+01
      2   0.103689D+00 -0.626725D+00  0.937177D+01 -0.502477D+01  0.214744D-01
      3  -0.207932D+01 -0.769035D+01  0.447842D+00  0.102642D+02 -0.190623D+01
                51            52            53            54            55 
      1   0.262373D+01 -0.207051D+01  0.106098D+02  0.314034D+01 -0.818347D+00
      2   0.107219D+01  0.739504D+01  0.203000D+01  0.271292D+01  0.337938D+01
      3   0.134894D+01  0.431259D+01  0.697332D+00 -0.239570D+00 -0.739727D+00
                56            57            58            59            60 
      1  -0.997766D+00 -0.817892D+00  0.246679D+01  0.353393D+01  0.372129D+00
      2   0.123522D+01 -0.308835D+01  0.261841D+01 -0.823778D+01 -0.251464D+01
      3   0.609873D+00  0.460510D+00  0.940239D+01  0.689221D+01  0.884800D+01
                61            62            63            64            65 
      1   0.288470D+01  0.375609D+01 -0.195239D+01 -0.260557D+01  0.263691D+01
      2  -0.159197D+02 -0.666642D+01  0.377720D+01  0.247905D+01 -0.117464D+01
      3  -0.831674D-01  0.123990D+02  0.385992D+01  0.165647D+02 -0.798515D+01
                66            67            68            69            70 
      1   0.287691D+01  0.423646D+00 -0.238476D+01 -0.153019D+01 -0.654171D+00
      2   0.101839D+02  0.321741D+00  0.297876D+01  0.196681D+01  0.117038D+01
      3   0.463752D+01  0.177836D+01  0.393410D+01 -0.494603D+01  0.236802D+01
                71            72            73            74            75 
      1   0.700874D+01 -0.722251D+01  0.383341D+01 -0.333090D+01 -0.371793D+00
      2   0.462828D+01 -0.138445D+02 -0.141387D+02 -0.600415D+01  0.116146D+02
      3  -0.219271D+01 -0.493852D+01  0.297113D+00 -0.104419D+02  0.204663D+01
                76            77            78            79            80 
      1  -0.434852D+00 -0.144155D+01 -0.117795D+02 -0.124784D+01 -0.602597D+01
      2  -0.582489D+01  0.142568D+02  0.181204D+01  0.772608D+01  0.321823D+01
      3  -0.291682D+01  0.268187D+01 -0.148068D+02  0.900276D+00 -0.129527D+02
                81            82            83            84            85 
      1  -0.865539D+00  0.213854D+01  0.882818D+00  0.118412D+01 -0.402730D+00
      2   0.372906D+00 -0.452767D+01 -0.262137D+00  0.482903D+01 -0.102788D+01
      3  -0.171220D+01 -0.114314D+02 -0.458965D+01 -0.167011D+01 -0.107501D+01
                86            87            88            89            90 
      1  -0.379977D+00 -0.744543D+00 -0.816690D-01  0.731219D-01  0.795381D-01
      2  -0.694686D+00  0.747286D+00  0.649836D+00  0.533439D-01  0.923643D+00
      3   0.974672D+00  0.103504D+01 -0.188872D+00  0.841357D+00 -0.188136D+00
                91            92            93            94            95 
      1  -0.613599D+00 -0.559578D-01 -0.756805D+00 -0.933351D+00  0.196283D+00
      2   0.120828D+01  0.241485D+00  0.243240D+01 -0.714177D+00  0.423146D+01
      3  -0.368078D+01 -0.251177D+01 -0.291583D+00  0.316887D+01 -0.129482D+02
                96            97            98            99           100 
      1  -0.441023D+01 -0.796997D+00  0.329899D+00 -0.207116D+01  0.155204D+01
      2   0.399988D+01  0.140872D+00  0.337504D+01  0.338972D+01 -0.149447D+01
      3  -0.429837D+01  0.112610D+01 -0.607516D+01 -0.349228D+01  0.232022D+01
               101           102           103           104           105 
      1   0.141982D+01  0.332377D+00  0.542794D+00  0.807263D+01  0.389992D+01
      2  -0.101703D+01 -0.201324D+01 -0.178000D+01 -0.676421D+01 -0.765247D+01
      3   0.113631D+01  0.189931D-01  0.207014D+01  0.927677D+01  0.673331D+01
               106           107           108           109           110 
      1  -0.246125D+00  0.610614D+01  0.456943D+01 -0.174510D+01  0.237930D+01
      2  -0.266288D+01 -0.436346D+01 -0.857866D+01 -0.332090D+01  0.352770D+01
      3  -0.272443D+00  0.554862D+01  0.485164D+01 -0.462774D+01  0.440887D+01
               111           112           113           114           115 
      1   0.525661D+00  0.135600D+01 -0.541735D+01  0.343656D+00  0.315386D+00
      2  -0.353463D+01  0.392308D+01 -0.837296D+01  0.632618D+01 -0.357657D+01
      3  -0.235890D+01  0.563399D+01 -0.118645D+02  0.739585D+01 -0.144069D+01
               116           117           118           119           120 
      1   0.356623D+01 -0.117346D+00 -0.134698D+01 -0.195745D+01 -0.137069D+01
      2   0.493920D+01 -0.663676D+01  0.111634D+02  0.141012D+01  0.632199D+01
      3   0.541275D+01 -0.517645D+01  0.357738D+01 -0.559089D+01  0.601956D-01
               121           122           123           124           125 
      1  -0.176017D+01 -0.509105D+00 -0.625788D-01 -0.959652D+00  0.113407D+01
      2   0.191780D+01 -0.382995D+00  0.926611D+00  0.143788D+01  0.571904D-01
      3  -0.177577D+01 -0.165910D+01  0.184387D+01 -0.133711D+00  0.139489D+01
               126           127           128           129           130 
      1  -0.264656D+00  0.110362D+00  0.294039D+00 -0.155818D+01  0.136519D+00
      2   0.947589D+00 -0.187024D+01 -0.123656D+01  0.840996D-03 -0.170128D+01
      3   0.734197D+00  0.670621D+01  0.365759D+01  0.134798D+01  0.686394D+01
               131           132           133           134           135 
      1   0.817117D+00 -0.395532D+01  0.602508D+00  0.243224D+01 -0.576388D+00
      2  -0.237109D+01  0.350133D-01 -0.214406D+01 -0.887229D+00  0.429900D-02
      3   0.853436D+01  0.258925D+01  0.232339D+01  0.250239D+01  0.592682D+00
               136           137           138           139           140 
      1   0.195652D+00 -0.679530D+00  0.221644D+01  0.300339D+00  0.237624D+00
      2   0.121546D-01  0.580627D-01  0.279852D+01  0.983667D+00 -0.176826D+01
      3   0.161607D+01 -0.493516D+01 -0.300842D+00 -0.337985D+01  0.108581D+02
               141           142           143           144           145 
      1  -0.332120D+01 -0.934343D+00  0.166832D+01 -0.352621D+00 -0.157575D+00
      2  -0.347152D+01 -0.856669D+00  0.294545D+00 -0.520346D+00  0.134199D+01
      3   0.163120D+01 -0.117142D+01  0.269201D+01  0.485251D+00 -0.536819D+00
               146           147           148           149           150 
      1   0.361966D+00 -0.571252D+00 -0.239086D-01 -0.115154D-01 -0.412199D+00
      2  -0.173789D-01  0.608983D+01  0.193046D+01  0.402562D+00  0.889075D+00
      3  -0.535452D+01  0.964866D-01 -0.360879D+01 -0.122884D+01 -0.385467D+00
               151           152           153           154           155 
      1   0.427108D+00  0.629335D+00  0.198447D-01 -0.222264D+00  0.122517D+00
      2  -0.294860D+01 -0.184357D+00  0.314797D+00  0.315560D+00  0.622774D+00
      3  -0.170094D+01 -0.777410D+00 -0.983220D-01 -0.744360D+00 -0.260057D+01
               156           157           158           159           160 
      1  -0.168540D+01 -0.244319D+00  0.480242D+00 -0.432482D+01  0.629311D+00
      2   0.167660D+01  0.625569D+00  0.317016D+01  0.345345D+01 -0.618671D+00
      3  -0.483318D+00 -0.134218D+01 -0.133914D+02 -0.289706D+01 -0.530591D+00
               161           162           163           164           165 
      1   0.217372D+01 -0.590269D+00  0.519227D+00 -0.102852D+01  0.211561D+01
      2   0.285202D+00  0.776591D+00  0.226929D+01 -0.968840D+00  0.490181D+00
      3  -0.359682D+01 -0.887803D+00 -0.988261D+01  0.383483D+01  0.263304D+00
               166           167           168           169           170 
      1  -0.981874D-01  0.710528D-01 -0.312507D+01 -0.150110D+00  0.186146D+01
      2  -0.939717D+00  0.126835D+01 -0.111111D+01 -0.186660D+01  0.514137D+00
      3   0.692641D+01 -0.495521D+01 -0.116589D+01  0.199921D+00 -0.112745D+01
               171           172           173           174           175 
      1  -0.188904D+00  0.386449D+00 -0.627124D+00 -0.279915D+01 -0.131389D+00
      2  -0.311044D+00  0.368506D+01  0.115479D+01 -0.576519D+01  0.426622D-01
      3  -0.175746D+00  0.972418D+00  0.151927D+01 -0.205283D+01  0.877659D+00
               176           177           178           179           180 
      1  -0.410340D+00 -0.291764D+01 -0.552538D+00  0.915692D+00  0.742906D+01
      2   0.107436D+01 -0.533734D+01 -0.389939D+01 -0.566214D+01  0.186041D+02
      3   0.261000D+01 -0.828435D+00 -0.154273D+01 -0.259262D+01  0.746823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.975158D+01 -0.216246D+02 -0.344518D+01  0.208186D+02  0.120767D+02
      2  -0.852613D+01  0.140874D+02  0.632790D+00 -0.187620D+02 -0.155713D+02
      3  -0.122545D+01  0.753719D+01  0.281239D+01 -0.205661D+01  0.349458D+01
      4  -0.157448D+02 -0.655559D+01 -0.374031D+01  0.108290D+02 -0.304828D+01
      5  -0.645852D+01 -0.187362D+01 -0.264832D+01 -0.204495D+00 -0.830181D+01
      6  -0.480478D+01 -0.125368D+01  0.446668D+01 -0.613963D+01 -0.127972D+02
                 6             7             8             9            10 
      1   0.384281D+01  0.509650D+01  0.857736D+00 -0.542043D+01 -0.586217D+00
      2  -0.805588D+01 -0.869600D+01 -0.965324D+01 -0.633012D+01 -0.695490D+00
      3   0.421306D+01  0.359950D+01  0.879550D+01  0.117505D+02  0.128171D+01
      4  -0.774663D+01 -0.369886D+01 -0.112116D+02  0.119203D+02  0.109884D+02
      5   0.113305D+02  0.124649D+02  0.124735D+02  0.102977D+02  0.406992D+01
      6   0.553605D+01  0.474680D+01  0.126846D+02  0.321578D+01  0.237888D+01
                11            12            13            14            15 
      1   0.175571D+02  0.495638D+01 -0.510394D+01  0.127533D+01  0.501547D+01
      2  -0.125564D+02  0.464518D+00  0.126528D+02 -0.398972D+01 -0.363971D+01
      3  -0.500070D+01 -0.542090D+01 -0.754888D+01  0.271439D+01 -0.137576D+01
      4  -0.106595D+02 -0.348791D+00  0.357900D+01  0.138887D+02  0.289204D+01
      5  -0.114011D+01 -0.270926D+01  0.377487D+01  0.267123D+01 -0.524765D-01
      6  -0.932062D+00 -0.670647D+01  0.860548D+01 -0.586528D+01  0.528125D+01
                16            17            18            19            20 
      1  -0.197994D+01  0.572931D+01 -0.134521D+02 -0.208287D+02 -0.247784D+01
      2   0.760469D+01 -0.762242D+01  0.110891D+01  0.639937D+01  0.207840D+01
      3  -0.562475D+01  0.189311D+01  0.123432D+02  0.144294D+02  0.399434D+00
      4   0.276889D+01  0.137353D+01  0.389527D+01  0.476218D+01  0.163708D+01
      5   0.327950D+01  0.240365D+01 -0.220868D+00 -0.865229D+01 -0.126269D+01
      6  -0.264100D+01  0.102874D+02 -0.735654D-02 -0.360401D+01  0.436579D+00
                21            22            23            24            25 
      1  -0.363199D+01  0.206336D+01 -0.962635D+01 -0.181585D+01 -0.530489D+01
      2  -0.252615D+00 -0.403916D+01  0.149619D+02  0.822269D+01 -0.136148D+01
      3   0.388460D+01  0.197580D+01 -0.533559D+01 -0.640684D+01  0.666637D+01
      4  -0.733569D+00 -0.985861D+01 -0.243780D+01  0.141384D+01 -0.599134D+01
      5   0.123845D+00 -0.612936D+01  0.156355D+01  0.657715D-01  0.573990D+01
      6   0.151869D+01 -0.311928D+01  0.656629D+01 -0.166424D+01  0.177174D+00
                26            27            28            29            30 
      1  -0.258818D+01 -0.838790D+01  0.128564D+02 -0.118559D+02 -0.467310D+00
      2   0.464402D+01 -0.257399D+01 -0.881125D+01  0.881892D+01 -0.153070D+01
      3  -0.205584D+01  0.109619D+02 -0.404515D+01  0.303693D+01  0.199801D+01
      4   0.215903D+01  0.167768D+01 -0.807139D+01 -0.177601D+02 -0.369886D+01
      5   0.133494D+01 -0.100764D+01  0.160661D+01 -0.258626D+01 -0.545578D+01
      6   0.736448D+01 -0.325677D+01 -0.221386D+01 -0.195964D+01  0.499695D+01
                31            32            33            34            35 
      1   0.111134D+01  0.872673D+01  0.537337D+01  0.237891D+01  0.447040D+01
      2  -0.894862D+01 -0.116274D+02 -0.853203D+01 -0.489521D+01 -0.116034D+02
      3   0.783728D+01  0.290064D+01  0.315866D+01  0.251631D+01  0.713305D+01
      4   0.113340D+02 -0.126852D+02 -0.211087D+01 -0.710566D+00 -0.295290D+01
      5  -0.519892D+00 -0.255222D+01 -0.110770D+01  0.348624D+01 -0.563212D+01
      6  -0.610587D+01 -0.111680D+02  0.387456D+01  0.127794D+01  0.114846D+02
                36            37            38            39            40 
      1  -0.150401D+02 -0.140779D+01  0.242141D+02  0.652432D+01 -0.267254D+02
      2  -0.162034D+01 -0.196851D+01 -0.151217D+02  0.586460D+00  0.260903D+02
      3   0.166604D+02  0.337630D+01 -0.909238D+01 -0.711078D+01  0.635142D+00
      4  -0.719590D+01  0.173320D+02  0.286327D+01  0.218703D+01  0.223513D+01
      5  -0.504929D+01  0.425319D+00  0.324128D+00  0.584952D+01 -0.555598D+01
      6   0.427093D+01  0.702939D+00 -0.135783D+01 -0.750245D+01  0.861552D+01
                41            42            43            44            45 
      1   0.441736D+01  0.157767D+01 -0.844732D+01  0.422784D+01  0.220368D+01
      2  -0.779516D+01 -0.196408D+01  0.110785D+02 -0.872038D+01 -0.914583D+01
      3   0.337779D+01  0.386414D+00 -0.263117D+01  0.449254D+01  0.694214D+01
      4   0.963366D+01  0.109169D+02 -0.224364D+01  0.989859D+01 -0.123517D+02
      5   0.933141D+01 -0.131458D+02  0.189735D+02 -0.130401D+02 -0.101456D+02
      6  -0.789873D+01  0.478358D+01 -0.524665D+01  0.111324D+02 -0.466634D+00
                46            47            48            49            50 
      1  -0.154746D+02 -0.396171D+01 -0.580761D+01  0.971589D+01 -0.204934D+02
      2   0.901991D+01  0.291235D+01  0.195844D+01 -0.856629D+01  0.185000D+02
      3   0.645472D+01  0.104936D+01  0.384917D+01 -0.114960D+01  0.199334D+01
      4  -0.249065D+01  0.231671D+02 -0.971246D-01 -0.191579D+02 -0.389853D+01
      5  -0.468468D+01 -0.414549D+00  0.210052D+02 -0.143465D+02 -0.139197D+01
      6   0.592366D+00  0.113750D+00  0.255259D+01 -0.345260D+01  0.524627D+01
                51            52            53            54            55 
      1  -0.882047D+01 -0.338781D+01 -0.897196D+01  0.119449D+02  0.124254D+02
      2   0.118753D+02 -0.786174D+00  0.641838D+01 -0.151704D+02 -0.393967D+01
      3  -0.305483D+01  0.417398D+01  0.255358D+01  0.322550D+01 -0.848576D+01
      4  -0.427364D+01 -0.145097D+02 -0.140553D+01  0.149248D+01  0.218238D+01
      5   0.217020D+01  0.343744D+02  0.278255D+01  0.565800D+01  0.703339D+01
      6  -0.405911D+01  0.106432D+01  0.719015D+01 -0.447508D+01  0.215820D+01
                56            57            58            59            60 
      1   0.100238D+01 -0.159472D+01  0.107865D+02  0.522671D+01  0.763385D+01
      2   0.273589D+01 -0.175763D+01 -0.702483D+01 -0.116814D+02 -0.157061D+02
      3  -0.373827D+01  0.335235D+01 -0.376164D+01  0.645465D+01  0.807225D+01
      4  -0.114388D+02  0.347136D+01 -0.136777D+02 -0.228957D+02 -0.190918D+02
      5   0.350823D+01 -0.162312D+02  0.153821D+02 -0.168058D+02 -0.323994D+01
      6  -0.576591D+00 -0.864373D+00 -0.564134D+01 -0.128800D+02 -0.689400D+01
                61            62            63            64            65 
      1   0.567967D+01  0.695080D+01 -0.562316D+01 -0.361528D+02 -0.203276D+00
      2  -0.112938D+02 -0.388172D+01  0.694596D+01  0.247033D+02 -0.512341D+01
      3   0.561411D+01 -0.306908D+01 -0.132280D+01  0.114496D+02  0.532669D+01
      4   0.142937D+02 -0.195046D+02 -0.137788D+02 -0.268007D+01  0.144959D+02
      5  -0.295296D+02 -0.131499D+02  0.101902D+02 -0.164225D+02 -0.121198D+01
      6  -0.782642D+01 -0.105114D+02  0.279334D+01 -0.140379D+01  0.142774D+01
                66            67            68            69            70 
      1  -0.102337D+02 -0.109556D+02 -0.314852D+01 -0.324023D+01 -0.942280D+01
      2   0.714424D+00  0.263063D+01  0.132491D+02 -0.219828D+01  0.217540D+01
      3   0.951931D+01  0.832494D+01 -0.101006D+02  0.543852D+01  0.724741D+01
      4   0.104658D+01  0.185581D+02 -0.966821D+01  0.122900D+02 -0.133419D+01
      5   0.128020D+02 -0.100230D+02  0.112483D+02  0.687875D+00  0.115826D+02
      6  -0.381044D+01  0.614125D+01 -0.438137D+01  0.695531D+01 -0.204728D+01
                71            72            73            74            75 
      1   0.275731D+00  0.158670D+02 -0.599957D+02 -0.172215D+02  0.101542D+02
      2  -0.868437D+01  0.252324D+00  0.243070D+02  0.102334D+02 -0.960470D+00
      3   0.840864D+01 -0.161193D+02  0.356887D+02  0.698809D+01 -0.919372D+01
      4   0.471205D+01  0.136353D+01 -0.224177D+02  0.815434D+01 -0.328961D+01
      5   0.389869D+01 -0.157136D+02  0.143741D+02 -0.222366D+00  0.135823D+02
      6   0.503810D+01  0.829412D+01  0.414648D+01 -0.755563D+01  0.468733D+01
                76            77            78            79            80 
      1  -0.176289D+02  0.199756D+02 -0.484685D+01 -0.104078D+00 -0.644628D+01
      2   0.940462D+01 -0.513403D+01  0.134317D+02  0.918709D+01  0.121218D+02
      3   0.822431D+01 -0.148416D+02 -0.858484D+01 -0.908301D+01 -0.567549D+01
      4   0.722805D+01  0.279883D+01  0.186045D+02 -0.936357D+01  0.135903D+02
      5  -0.320188D+01  0.136941D+02  0.851921D+01  0.252429D+02  0.115370D+02
      6  -0.438074D+01  0.432078D+01 -0.132193D+02  0.891869D+01 -0.865419D+01
                81            82            83            84            85 
      1   0.128984D+02  0.726140D+02 -0.266278D+01  0.102405D+02  0.468421D+01
      2  -0.124749D+02 -0.427749D+02  0.114430D+01 -0.900700D+01 -0.174899D+01
      3  -0.423504D+00 -0.298391D+02  0.151848D+01 -0.123350D+01 -0.293522D+01
      4   0.119458D+02 -0.136509D+02  0.681691D+01 -0.381366D+01  0.495158D+01
      5  -0.145909D+02  0.292746D+02 -0.296602D+01  0.139865D+02 -0.553623D+00
      6  -0.575227D+01 -0.215430D+01  0.197203D+01 -0.233587D+01  0.166894D+01
                86            87            88            89            90 
      1   0.224823D+01 -0.170920D+01  0.411032D+01 -0.132995D+01  0.376302D+01
      2   0.417959D+00  0.150070D+01 -0.301186D+01  0.113460D+01 -0.379303D+01
      3  -0.266619D+01  0.208507D+00 -0.109846D+01  0.195357D+00  0.300007D-01
      4  -0.171289D+01 -0.125938D+00 -0.257138D+01 -0.382839D+00 -0.134446D+01
      5  -0.120902D+00 -0.505290D+00  0.947572D+01 -0.151603D+01  0.487849D+01
      6  -0.967990D-01  0.109703D+01 -0.133148D+01  0.901131D+00 -0.899249D+00
                91            92            93            94            95 
      1   0.109034D+01  0.254078D+01  0.210755D+01  0.694811D+00 -0.130620D+02
      2   0.191658D+01 -0.117657D+00 -0.823585D-01  0.212660D+01  0.210841D+02
      3  -0.300692D+01 -0.242312D+01 -0.202520D+01 -0.282141D+01 -0.802205D+01
      4   0.777519D+01  0.119707D+02  0.325251D+01  0.111498D+02  0.305144D+02
      5   0.320057D+01  0.319265D+01  0.723135D+01  0.316721D+01  0.888962D+01
      6   0.449616D+01  0.208655D+01  0.118210D+01  0.315262D+01  0.167282D+02
                96            97            98            99           100 
      1  -0.518671D+01  0.601441D+00 -0.675328D+01 -0.536508D+01  0.427088D+01
      2   0.729990D+01  0.106488D+01  0.515668D+01  0.166261D+01 -0.303707D+01
      3  -0.211319D+01 -0.166632D+01  0.159661D+01  0.370246D+01 -0.123381D+01
      4   0.983659D+01  0.279486D+01  0.136563D+02  0.967684D+01 -0.872490D+00
      5   0.916582D+01  0.823199D+01  0.876455D+01  0.775064D+01 -0.284756D+01
      6   0.105649D+02  0.322790D+01  0.131277D+02  0.953243D+01  0.215030D+01
               101           102           103           104           105 
      1  -0.160596D+01 -0.539987D+01 -0.522160D+01 -0.812188D+01 -0.578713D+01
      2   0.652719D+00  0.516792D+00  0.370041D+01 -0.854942D-02 -0.666978D+01
      3   0.953244D+00  0.488307D+01  0.152118D+01  0.813043D+01  0.124569D+02
      4  -0.448069D+00  0.433867D+00  0.179890D+01 -0.162800D+02 -0.111661D+02
      5   0.184630D+01  0.153514D+00  0.736852D+01 -0.920670D+01 -0.145866D+02
      6   0.175497D+01 -0.152323D+00 -0.748502D-01  0.119414D+02  0.100053D+02
               106           107           108           109           110 
      1  -0.379467D+01 -0.411496D+01 -0.111467D+02 -0.133547D+01  0.982617D+01
      2   0.253310D+01 -0.543442D+01 -0.727357D+01  0.198254D+01 -0.672852D+01
      3   0.126157D+01  0.954938D+01  0.184202D+02 -0.647069D+00 -0.309766D+01
      4   0.112435D+01 -0.949656D+01 -0.864344D+01  0.218891D+01 -0.236637D+01
      5   0.430547D+01 -0.731409D+01 -0.142137D+02  0.375956D+00 -0.463775D+00
      6  -0.780727D+00  0.937375D+01  0.786886D+01 -0.398854D+01  0.638138D+01
               111           112           113           114           115 
      1  -0.813427D+01  0.985398D+01 -0.205687D+02  0.127447D+02 -0.388341D+01
      2   0.187084D+01 -0.580939D+01  0.175643D+02 -0.579096D+01  0.616442D+00
      3   0.626343D+01 -0.404459D+01  0.300442D+01 -0.695376D+01  0.326696D+01
      4   0.142069D+01  0.244219D+01  0.163560D+02 -0.105731D+02  0.815906D-01
      5  -0.247556D+01 -0.431742D+01 -0.769181D+01  0.772099D+01  0.169416D+01
      6  -0.530518D+01  0.226391D+01 -0.188115D+02  0.151095D+02 -0.232823D+01
               116           117           118           119           120 
      1   0.103204D+02 -0.143357D+02  0.869243D+02  0.112067D+02 -0.615450D+01
      2  -0.387237D+01  0.176872D+01 -0.431895D+02 -0.371175D+01  0.686648D+01
      3  -0.644803D+01  0.125670D+02 -0.437348D+02 -0.749495D+01 -0.711973D+00
      4  -0.749369D+01  0.547847D+01  0.262605D+02  0.143972D+02 -0.328341D+01
      5   0.476575D+01 -0.689912D+01 -0.303759D+02 -0.501893D+01  0.151126D+02
      6   0.130966D+02 -0.116681D+02 -0.511146D+01 -0.344757D+01  0.282943D+01
               121           122           123           124           125 
      1   0.966954D+01  0.607520D+01  0.377555D+00  0.432488D+01  0.964904D+00
      2  -0.252272D+01 -0.179063D+01 -0.485890D+00  0.753718D+00 -0.342498D+00
      3  -0.714682D+01 -0.428457D+01  0.108335D+00 -0.507860D+01 -0.622406D+00
      4   0.154891D+02  0.723754D+01 -0.347244D+01  0.162716D+01 -0.547321D+00
      5  -0.366072D+01 -0.458053D+01  0.182924D+01  0.956112D+01  0.833683D+00
      6  -0.290857D+01 -0.206211D+01  0.339241D+01  0.186198D+01  0.229428D+01
               126           127           128           129           130 
      1   0.563559D+01 -0.530127D+01 -0.863383D+01 -0.295737D+01 -0.781189D+01
      2  -0.388568D+01  0.649415D+01  0.998899D+01  0.198464D+01  0.932435D+01
      3  -0.174991D+01 -0.119288D+01 -0.135516D+01  0.972723D+00 -0.151246D+01
      4   0.168911D+01  0.347803D+01  0.686779D+01  0.144963D+01  0.500340D+01
      5  -0.169072D+01  0.112161D+01  0.133671D+01  0.161894D+01  0.104232D+01
      6  -0.106623D+00  0.265970D+01  0.376645D+01  0.278087D+01  0.331711D+01
               131           132           133           134           135 
      1  -0.319221D+02 -0.891269D+01 -0.253269D+01 -0.889831D+01 -0.389467D+01
      2   0.409058D+02  0.809693D+01  0.284921D+01  0.103512D+02  0.414894D+01
      3  -0.898373D+01  0.815754D+00 -0.316515D+00 -0.145287D+01 -0.254270D+00
      4  -0.941034D+00 -0.712246D+00  0.142883D+01 -0.204922D+00  0.134688D+01
      5  -0.703594D+00 -0.305543D-05  0.906186D+00  0.480180D+00  0.680684D+00
      6   0.136874D+02  0.915068D+01  0.119618D+01  0.560512D+01  0.396908D+01
               136           137           138           139           140 
      1   0.216264D+02 -0.134357D+02 -0.279169D+01 -0.881703D+01  0.313952D+01
      2  -0.374275D+01 -0.125390D+01  0.952192D+00 -0.634307D+01  0.166828D+02
      3  -0.178836D+02  0.146896D+02  0.183950D+01  0.151601D+02 -0.198223D+02
      4  -0.329348D+02  0.303150D+02  0.483582D+01  0.335091D+02 -0.434635D+02
      5  -0.687446D+01  0.498292D+01  0.623300D+01  0.725226D+01 -0.848802D+01
      6   0.273413D+01 -0.231108D+01 -0.325114D+01 -0.459918D+01  0.650494D+01
               141           142           143           144           145 
      1   0.747444D+00 -0.116591D+01  0.379602D-01  0.247422D-01  0.101751D+03
      2   0.102463D+01 -0.134353D+01  0.320292D+01  0.122584D+01 -0.569859D+02
      3  -0.177207D+01  0.250943D+01 -0.324088D+01 -0.125058D+01 -0.447652D+02
      4  -0.797980D+01  0.665589D+01 -0.849358D+01 -0.373041D+01  0.132363D+02
      5  -0.631658D+01  0.289545D+01 -0.303901D+01 -0.180742D+01  0.997979D+01
      6   0.614344D+01 -0.217875D+01  0.296951D+01  0.214799D+01 -0.222753D+01
               146           147           148           149           150 
      1   0.866959D+01  0.663194D+01  0.681919D+01  0.939731D+01  0.203694D+01
      2  -0.426352D+01 -0.444223D+01 -0.298114D+01 -0.422386D+01 -0.163966D+01
      3  -0.440606D+01 -0.218971D+01 -0.383805D+01 -0.517345D+01 -0.397284D+00
      4   0.954118D+01  0.677745D+00  0.152962D+02  0.401621D+01  0.138442D+01
      5   0.646823D+00  0.102362D+02  0.414178D+01  0.152674D+01  0.144960D+01
      6   0.241181D+00  0.493151D+00  0.814671D+00 -0.169266D-01  0.141752D+01
               151           152           153           154           155 
      1   0.758848D+01  0.221965D+01  0.359152D+01  0.554446D+01  0.451617D+01
      2  -0.409384D+01 -0.114073D+01 -0.207021D+01  0.319671D+01  0.507357D+01
      3  -0.349464D+01 -0.107892D+01 -0.152131D+01 -0.874117D+01 -0.958974D+01
      4   0.431781D+01  0.154326D+01  0.838136D+00  0.187453D+02  0.232921D+02
      5   0.270122D+01  0.495184D+00  0.124395D+01  0.488844D+01  0.555699D+01
      6   0.145174D+00  0.437796D+00  0.411410D+00  0.370677D+01  0.427604D+01
               156           157           158           159           160 
      1   0.108223D+01 -0.112414D+01 -0.156870D+02 -0.391577D+01  0.918606D-01
      2   0.374861D+00  0.112998D+02  0.365411D+02  0.593239D+01  0.232228D+01
      3  -0.145709D+01 -0.101756D+02 -0.208541D+02 -0.201662D+01 -0.241414D+01
      4   0.567974D+01  0.243489D+02  0.462466D+02  0.107908D+02  0.696010D+01
      5   0.495259D+01  0.593999D+01  0.104548D+02  0.668295D+01  0.271518D+01
      6   0.310549D+01  0.593850D+01  0.141399D+02  0.948248D+01  0.271709D+01
               161           162           163           164           165 
      1  -0.337843D+01 -0.205795D+01 -0.441219D+01  0.660900D+01  0.999767D+00
      2   0.798892D+01  0.325023D+01  0.604585D+01 -0.915279D+01 -0.732890D+00
      3  -0.461049D+01 -0.119228D+01 -0.163366D+01  0.254379D+01 -0.266877D+00
      4   0.127672D+02  0.473871D+01 -0.835766D+01  0.713638D+01  0.759131D+00
      5   0.390824D+01  0.270857D+01 -0.549197D+00  0.616453D+00  0.141376D+01
      6   0.561961D+01  0.397357D+01  0.899322D+00 -0.163862D+01 -0.238730D+01
               166           167           168           169           170 
      1   0.804473D+01 -0.196512D+02 -0.378660D+01  0.144025D+01 -0.391727D+01
      2  -0.106048D+02  0.262255D+02  0.312652D+01 -0.187919D+01  0.452739D+01
      3   0.256012D+01 -0.657430D+01  0.660075D+00  0.438943D+00 -0.610121D+00
      4   0.770980D+01 -0.800857D+01 -0.964312D+00  0.118287D+01 -0.128940D+01
      5   0.972266D+00 -0.115123D+01 -0.141935D+01  0.112480D+01 -0.818650D+00
      6  -0.260842D+01  0.518497D+01  0.514974D+01 -0.121340D+01  0.265294D+01
               171           172           173           174           175 
      1  -0.121272D+01 -0.286040D+01 -0.215346D+01  0.950661D+01 -0.102634D+01
      2   0.181834D+01 -0.643990D+00  0.150952D+00  0.105083D+01  0.427002D+00
      3  -0.605614D+00  0.350439D+01  0.200251D+01 -0.105574D+02  0.599339D+00
      4  -0.212864D+01  0.500302D+00 -0.207044D+01 -0.362650D+00  0.260661D+01
      5  -0.114228D+01  0.170363D+01  0.995216D+00 -0.501143D+01 -0.528476D+00
      6   0.161508D+01 -0.111697D+01 -0.142398D+01  0.370226D+01 -0.298576D+00
               176           177           178           179           180 
      1  -0.318171D+01  0.477426D+01  0.791857D+01  0.644650D+01 -0.231722D+02
      2   0.149756D+01  0.196646D+01 -0.361685D+01  0.151233D+01 -0.110236D+02
      3   0.168415D+01 -0.674071D+01 -0.430172D+01 -0.795883D+01  0.341958D+02
      4  -0.542330D+01  0.127672D+01 -0.281278D+01  0.328272D+01 -0.688988D+01
      5   0.161484D+01 -0.924835D+01  0.614905D+01 -0.893904D+01  0.302619D+02
      6  -0.249611D+01  0.766261D+01  0.489757D+00  0.726167D+01 -0.156144D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108167D+03      0.160287D+02      0.178343D+02
   aniso      0.492854D+02      0.730334D+01      0.812606D+01
   xx         0.135375D+03      0.200605D+02      0.223203D+02
   yx         0.229055D+00      0.339424D-01      0.377660D-01
   yy         0.109356D+03      0.162049D+02      0.180304D+02
   zx         0.118894D+01      0.176183D+00      0.196030D+00
   zy         0.584612D+01      0.866306D+00      0.963895D+00
   zz         0.797698D+02      0.118207D+02      0.131523D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108167D+03      0.160287D+02      0.178343D+02
   aniso      0.492854D+02      0.730334D+01      0.812606D+01
   xx         0.116884D+03      0.173205D+02      0.192716D+02
   yx         0.168419D+02      0.249571D+01      0.277685D+01
   yy         0.941766D+02      0.139555D+02      0.155276D+02
   zx        -0.182718D+02     -0.270760D+01     -0.301261D+01
   zy         0.651236D+01      0.965033D+00      0.107374D+01
   zz         0.113440D+03      0.168100D+02      0.187037D+02

 ----------------------------------------------------------------------
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 BE NOT THE FIRST BY WHOM THE NEW ARE TRIED,
 NOR YET THE THE LAST TO LAY THE OLD ASIDE.

                          -- ALEXANDER POPE
 Job cpu time:       0 days  4 hours 49 minutes 49.1 seconds.
 Elapsed time:       0 days  0 hours 36 minutes 20.9 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:41:05 2021.
